(Q104960181)

English

(1S,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-Hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]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

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(=C)C(CC(O)C32)C4

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isomeric SMILES

C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@H]2[C@@H](O)C[C@@H]1C3

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found in taxon

Grazielia serrata

1 reference

stated in

Germacranolides, a guaianolide with a β-lactone ring and further constituents from Grazielia species

Identifiers

InChI

InChI=1S/C20H30O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)14(21)9-13(12)11-20/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16-,18-,19-,20-/m1/s1

0 references

InChIKey

CISCFXYVWOHCEA-JXNMKVQOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CISCFXYVWOHCEA-JXNMKVQOSA-N

(Q104960181)

(1S,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Statements

Identifiers

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