(Q105374506)

English

(1S,4S,5S,6R,9S,10R,12R,13R,14S)-6-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

6-Hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC34CC5C(CC32)C5(C)C4

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isomeric SMILES

C[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]12)[C@@]4(C)C3

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found in taxon

Croton insularis

1 reference

stated in

Chemical Constituents fromCroton insularis

Identifiers

InChI

InChI=1S/C20H30O3/c1-17-6-5-15(21)19(3,16(22)23)13(17)4-7-20-9-12-11(8-14(17)20)18(12,2)10-20/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15-,17-,18-,19+,20+/m1/s1

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InChIKey

ZFOHHZLVISXFAE-VVBRSFEGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFOHHZLVISXFAE-VVBRSFEGSA-N

(Q105374506)

(1S,4S,5S,6R,9S,10R,12R,13R,14S)-6-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

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Identifiers

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