
 SCHEMBL3703705

 62 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3703705

>  <PubChem CID>
68751402

>  <Formula>
C24H32O6

>  <Molecular Weight>
416.514000

>  <IUPAC Name>
5-[(5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5,5a,6,7,8,8a-hexahydro-2H-cyclopenta[b]oxepin-3-yl]pentanoic acid

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C=C(COC2C1C(C(C2)O)C=CC(COC3=CC=CC=C3)O)CCCCC(=O)O

>  <Isomeric SMILES>
C1C=C(CO[C@@H]2[C@H]1[C@H]([C@@H](C2)O)/C=C/[C@H](COC3=CC=CC=C3)O)CCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H32O6/c25-18(16-29-19-7-2-1-3-8-19)11-13-20-21-12-10-17(6-4-5-9-24(27)28)15-30-23(21)14-22(20)26/h1-3,7-8,10-11,13,18,20-23,25-26H,4-6,9,12,14-16H2,(H,27,28)/b13-11+/t18-,20-,21-,22-,23+/m1/s1

>  <InChI Key>
GFDQGLQBMQZFJT-MCWCYXQTSA-N

