(Q104956743)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(16-Hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-7-methyl-6-methylideneoctanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

496.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₄

0 references

canonical SMILES

O=C(O)C(CCCC(=C)C(C)C)C1C(O)CC2(C3=CCC4C(C(=O)CCC4(C3=CCC12C)C)(C)C)C

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isomeric SMILES

C=C(CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C

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found in taxon

Pycnoporus sanguineus

1 reference

stated in

Chemistry of fungi. Part III. Constituents of Coriolus sanguineus Fr.

Trametes coccinea

1 reference

stated in

Chemistry of fungi. Part III. Constituents of Coriolus sanguineus Fr.

Identifiers

InChI

InChI=1S/C32H48O4/c1-19(2)20(3)10-9-11-21(28(35)36)27-24(33)18-32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(27,32)7/h12,14,19,21,24-25,27,33H,3,9-11,13,15-18H2,1-2,4-8H3,(H,35,36)/t21-,24-,25+,27+,30-,31-,32+/m1/s1

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InChIKey

CFMRQQRDYDZRHX-FNOWEGRKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFMRQQRDYDZRHX-FNOWEGRKSA-N

(Q104956743)

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

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