nerifolin
Molecular Formula:
C30H46O8
InChI: InChI=1/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20u,21u,22u,24-,25-,26+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=VPUNMTHWNSJUOG-QMZBMIBSBE
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
Names:
nerifolin
4-[(3S,5R,10S,13R,14S)-3-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
Registries:
PubChem CID 5702170
PubChem ID 8149732
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