
 CID 10077178

 78 82  0  0  0  0  0  0  0  0999 V2000
    2.9858    6.4160   -5.0557 C   0  0  0  0  0
    2.2091    6.1291   -3.7853 C   0  0  0  0  0
    3.0995    5.6154   -2.7837 O   0  0  0  0  0
    3.2487    4.2693   -2.7413 C   0  0  0  0  0
    2.6638    3.4747   -3.4664 O   0  0  0  0  0
    4.2374    3.8492   -1.7146 C   0  0  0  0  0
    4.5652    4.5270   -0.5950 C   0  0  0  0  0
    5.4918    4.0621    0.3152 O   0  0  0  0  0
    5.3920    2.6954    0.7334 C   0  0  0  0  0
    4.8289    1.6856   -0.2841 C   0  0  0  0  0
    5.0283    2.2648   -1.9958 S   0  0  0  0  0
    6.4881    2.5387   -2.2167 O   0  0  0  0  0
    5.4803    0.3005   -0.1106 C   0  0  0  0  0
    5.6358    0.0383    1.4060 C   0  0  0  0  0
    6.6472    1.0677    1.9698 C   0  0  0  0  0
    6.6859    2.2765    1.1916 O   0  0  0  0  0
    8.0761    0.5092    1.9977 C   0  0  0  0  0
    8.1130   -0.6827    2.7774 O   0  0  0  0  0
    9.4318   -1.2103    2.8835 C   0  0  0  0  0
    9.3661   -2.4580    3.7223 C   0  0  0  0  0
    9.4929   -2.3841    5.1167 C   0  0  0  0  0
    9.4173   -3.5387    5.8977 C   0  0  0  0  0
    9.2034   -4.7765    5.2943 C   0  0  0  0  0
    9.0589   -4.8604    3.9106 C   0  0  0  0  0
    9.1352   -3.7067    3.1279 C   0  0  0  0  0
    4.3808    0.2856    2.0809 O   0  0  0  0  0
    3.4925   -0.8261    2.0620 C   0  0  0  0  0
    2.2338   -0.4333    2.7835 C   0  0  0  0  0
    1.1774    0.1753    2.0891 C   0  0  0  0  0
    0.0104    0.5402    2.7599 C   0  0  0  0  0
   -0.1078    0.3064    4.1286 C   0  0  0  0  0
    0.9416   -0.2855    4.8294 C   0  0  0  0  0
    2.1102   -0.6504    4.1614 C   0  0  0  0  0
    4.6605   -0.6928   -0.7597 O   0  0  0  0  0
    5.3320   -1.9432   -0.9455 C   0  0  0  0  0
    4.4441   -2.9201   -1.6778 C   0  0  0  0  0
    3.1164   -3.1375   -1.2817 C   0  0  0  0  0
    2.3229   -4.0886   -1.9267 C   0  0  0  0  0
    2.8490   -4.8389   -2.9745 C   0  0  0  0  0
    4.1677   -4.6398   -3.3759 C   0  0  0  0  0
    4.9624   -3.6900   -2.7292 C   0  0  0  0  0
    4.0175    5.8670   -0.1927 C   0  0  0  0  0
    2.3349    6.8464   -5.8217 H   0  0  0  0  0
    3.4391    5.5016   -5.4513 H   0  0  0  0  0
    3.8040    7.1154   -4.8539 H   0  0  0  0  0
    1.3717    5.4475   -3.9720 H   0  0  0  0  0
    1.7852    7.0594   -3.3926 H   0  0  0  0  0
    4.7336    2.7206    1.6116 H   0  0  0  0  0
    3.7412    1.6070   -0.1544 H   0  0  0  0  0
    6.4690    0.2839   -0.5892 H   0  0  0  0  0
    5.9473   -0.9844    1.6350 H   0  0  0  0  0
    6.3590    1.3367    2.9943 H   0  0  0  0  0
    8.7522    1.2592    2.4271 H   0  0  0  0  0
    8.4240    0.2993    0.9789 H   0  0  0  0  0
   10.0983   -0.4746    3.3494 H   0  0  0  0  0
    9.8256   -1.4433    1.8869 H   0  0  0  0  0
    9.6457   -1.4228    5.6021 H   0  0  0  0  0
    9.5198   -3.4711    6.9775 H   0  0  0  0  0
    9.1431   -5.6747    5.9030 H   0  0  0  0  0
    8.8824   -5.8247    3.4412 H   0  0  0  0  0
    9.0093   -3.7860    2.0509 H   0  0  0  0  0
    3.9569   -1.6970    2.5386 H   0  0  0  0  0
    3.2298   -1.0946    1.0403 H   0  0  0  0  0
    1.2603    0.3651    1.0209 H   0  0  0  0  0
   -0.8061    1.0065    2.2157 H   0  0  0  0  0
   -1.0169    0.5898    4.6515 H   0  0  0  0  0
    0.8520   -0.4627    5.8975 H   0  0  0  0  0
    2.9268   -1.1042    4.7188 H   0  0  0  0  0
    5.5920   -2.3846    0.0223 H   0  0  0  0  0
    6.2546   -1.7721   -1.5117 H   0  0  0  0  0
    2.6830   -2.5665   -0.4671 H   0  0  0  0  0
    1.2947   -4.2420   -1.6088 H   0  0  0  0  0
    2.2309   -5.5779   -3.4775 H   0  0  0  0  0
    4.5795   -5.2257   -4.1931 H   0  0  0  0  0
    5.9915   -3.5569   -3.0545 H   0  0  0  0  0
    2.9232    5.8609   -0.1834 H   0  0  0  0  0
    4.3813    6.6556   -0.8584 H   0  0  0  0  0
    4.3407    6.1314    0.8208 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2  3  1  0  0  0
  2 46  1  0  0  0
  2 47  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 10 49  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 50  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 51  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 57  1  0  0  0
 22 23  2  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 24 25  2  0  0  0
 24 60  1  0  0  0
 25 61  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 62  1  0  0  0
 27 63  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 30 31  2  0  0  0
 30 65  1  0  0  0
 31 32  1  0  0  0
 31 66  1  0  0  0
 32 33  2  0  0  0
 32 67  1  0  0  0
 33 68  1  0  0  0
 34 35  1  0  0  0
 35 36  1  0  0  0
 35 69  1  0  0  0
 35 70  1  0  0  0
 36 37  2  0  0  0
 36 41  1  0  0  0
 37 38  1  0  0  0
 37 71  1  0  0  0
 38 39  2  0  0  0
 38 72  1  0  0  0
 39 40  1  0  0  0
 39 73  1  0  0  0
 40 41  2  0  0  0
 40 74  1  0  0  0
 41 75  1  0  0  0
 42 76  1  0  0  0
 42 77  1  0  0  0
 42 78  1  0  0  0
M  END

>  <Chemical Name>
CID 10077178

>  <PubChem CID>
10077178

>  <Formula>
C33H36O8S

>  <Molecular Weight>
592.703000

>  <IUPAC Name>
ethyl 3-methyl-1-oxo-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiine-2-carboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC(=O)C1=C(OC2C(S1=O)C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(OC2C(S1=O)C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C33H36O8S/c1-3-37-32(34)30-23(2)40-33-31(42(30)35)29(39-21-26-17-11-6-12-18-26)28(38-20-25-15-9-5-10-16-25)27(41-33)22-36-19-24-13-7-4-8-14-24/h4-18,27-29,31,33H,3,19-22H2,1-2H3

>  <InChI Key>
AIYPPEFHXOWYPZ-UHFFFAOYSA-N

