
 SCHEMBL878409

 63 69  0  0  0  0  0  0  0  0999 V2000
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    7.6937    1.4186   -3.6980 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL878409

>  <PubChem CID>
66826937

>  <Formula>
C27H31NO4

>  <Molecular Weight>
433.548000

>  <IUPAC Name>
(1S,2S,6R,14R,15R,16R)-15-methoxy-16-(phenylmethoxymethyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC12CCC3(CC1COCC4=CC=CC=C4)C5CC6=C7C3(C2OC7=C(C=C6)O)CCN5

>  <Isomeric SMILES>
CO[C@]12CC[C@@]3(C[C@@H]1COCC4=CC=CC=C4)[C@H]5CC6=C7[C@]3([C@H]2OC7=C(C=C6)O)CCN5

>  <InChI Std. ID>
InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1

>  <InChI Key>
ADMSKYBLTWMPPO-QGUHJXFESA-N

