(Q104201293)

English

6-(15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid

group of stereoisomers with the chemical formula C₃₀H₄₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

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inferred from

lanostane triterpenoid

mass

500.3137891279998 dalton

1 reference

based on heuristic

inferred from InChI

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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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)

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InChIKey

XRXBNTYHQXKSAO-UHFFFAOYSA-N

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CAS Registry Number

98665-21-5

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

InChIKey

XRXBNTYHQXKSAO-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0035302

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XRXBNTYHQXKSAO-UHFFFAOYSA-N

(Q104201293)

6-(15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid

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Identifiers

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