Apocannoside
Molecular Formula:
C30H44O8
InChI: InChI=1/C30H44O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,16-17,19-24,26-27,33-34H,4-11,13-15H2,1-3H3/t17u,19-,20+,21u,22+,23-,24?,26?,27?,28-,29-,30+/m1/s1
InChIKey: InChIKey=BVEFMGIAGANFEG-XQGUJVSABE
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O
Names:
Apocannoside
NSC83216
(3S,5R,8R,9S,10R,13R,14S)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
3751-87-9
Registries:
PubChem CID 5459315
PubChem ID 8142530
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