(Q105340865)

English

(6S)-6-[(1S,3aS,9aR,11aS)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

group of stereoisomers with the chemical formula C₃₀H₄₄O₆

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instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

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inferred from

lanostane triterpenoid

mass

500.3137891279999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₄O₆

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canonical SMILES

O=C1C2=C(CCC3C(C(=O)CCC23C)(C)C)C4(C)C(O)CC(C(C)CC(=O)CC(C(=O)O)C)C4(C)C1

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isomeric SMILES

CC(CC(=O)C[C@H](C)[C@@H]1CC(O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O

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Identifiers

InChI

InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22?,24?,28+,29-,30-/m0/s1

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InChIKey

XRXBNTYHQXKSAO-WMXPBUEWSA-N

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PubChem CID

133613117

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matched by identifier from

InChIKey

XRXBNTYHQXKSAO-WMXPBUEWSA-N

(Q105340865)

(6S)-6-[(1S,3aS,9aR,11aS)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

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