(Q105217811)

English

(3R,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-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

group of stereoisomers with the chemical formula C₂₉H₄₂O₉

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instance of

group of stereoisomers

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534.2828829239999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₂O₉

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canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

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isomeric SMILES

CC1O[C@@H](O[C@@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)CC(O)[C@@H]1O

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Identifiers

InChI

InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16?,18-,19-,20?,21?,22?,24+,25-,26-,27+,28+,29+/m1/s1

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InChIKey

QBILRDAMJUPXCX-DSIUHXAQSA-N

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26 December 2021

matched by identifier from

InChIKey

QBILRDAMJUPXCX-DSIUHXAQSA-N

1 reference

(Q105217811)

(3R,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-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

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