NCIMech_000229
Molecular Formula:
C30H44O9
InChI: InChI=1/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19-,20+,21+,22+,23-,25+,26-,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=XQCGNURMLWFQJR-KKRLEFIZBL
SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
Names:
NCIMech_000229
(3R,5S,8S,9S,10S,13R,14R,17R)-5,14-dihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Registries:
PubChem CID 6713028
PubChem ID 11446877
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