(Q105306972)

English

(1R,3aR,5aR,5bS,7aS,11aS,11bS,13aR,13bR)-3a,5a,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysene-5b-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,5a,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysene-5b-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

452.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₃

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canonical SMILES

O=C(O)C12CCC3C(C(=O)C=CC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC41C)(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C(=O)O)[C@@H]12

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found in taxon

Cyathus striatus

1 reference

stated in

Metabolites of bird's nest fungi. Part 18. new oxygenated cadinane derivatives from cyathus striatus

Identifiers

InChI

InChI=1S/C30H44O3/c1-18(2)19-10-13-27(5)16-17-29(7)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-30(22,29)25(32)33/h12,14,19-22,24H,1,8-11,13,15-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22-,24+,27+,28-,29+,30+/m0/s1

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InChIKey

WJPCOGDDODFKEN-MKJGIAMJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJPCOGDDODFKEN-MKJGIAMJSA-N

(Q105306972)

(1R,3aR,5aR,5bS,7aS,11aS,11bS,13aR,13bR)-3a,5a,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysene-5b-carboxylic acid

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Identifiers

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