(Q104389214)

English

6-[(10S,13R,14R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

group of stereoisomers with the chemical formula C₃₂H₄₄O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

572.2985329879999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₄₄O₉

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canonical SMILES

O=C(OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C4(C(=O)CC(C(C)CC(=O)CC(C(=O)O)C)C14C)C)C

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isomeric SMILES

CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(O)CC[C@]23C)[C@]2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)[C@@]12C

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found in taxon

Ganoderma lucidum

1 reference

stated in

Two New Lanostanoids from Ganoderma lucidum

Identifiers

InChI

InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)/t15?,16?,19?,21?,22?,27?,30-,31-,32-/m0/s1

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InChIKey

YCXUCEXEMJPDRZ-LPQIQZSBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCXUCEXEMJPDRZ-LPQIQZSBSA-N

(Q104389214)

6-[(10S,13R,14R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

Statements

Identifiers

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