(Q105149797)

English

(4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

470.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₇

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canonical SMILES

O=C1C(=O)C2(C)C(CC(=O)C2(C=3C(=O)CC4C(C(=O)CCC4(C13)C)(C)C)C)C(C)CCC(=O)O

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isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O

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found in taxon

Ganoderma lucidum

1 reference

stated in

New Terpenoids fromGanoderma lucidumand Their Bitterness

Identifiers

InChI

InChI=1S/C27H34O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-14,16H,7-12H2,1-6H3,(H,31,32)/t13-,14-,16+,25+,26+,27+/m1/s1

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InChIKey

LCFUTECDUKUAFQ-CJDHDTBTSA-N

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CAS Registry Number

97653-95-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LCFUTECDUKUAFQ-CJDHDTBTSA-N

DSSTox substance ID

DTXSID601316656

1 reference

matched by identifier from

InChIKey

LCFUTECDUKUAFQ-CJDHDTBTSA-N

KNApSAcK ID

C00057719

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LCFUTECDUKUAFQ-CJDHDTBTSA-N

(Q105149797)

(4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

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Identifiers

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