(Q105006110)

English

(1R,4R,5R,6R,9R,10S,13S,14S)-6,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[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

6,14-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₅

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC34CC(CCC32)C(O)(CO)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](CC[C@@H]12)[C@](O)(CO)C3

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found in taxon

Mikania hirsutissima

1 reference

stated in

ent-Kaurenoic acids from Mikania hirsutissima (Compositae).

Mikania banisteriae

1 reference

stated in

ent-Kaurenoic acids from Mikania hirsutissima (Compositae).

Identifiers

InChI

InChI=1S/C20H32O5/c1-17-7-6-15(22)18(2,16(23)24)13(17)5-8-19-9-12(3-4-14(17)19)20(25,10-19)11-21/h12-15,21-22,25H,3-11H2,1-2H3,(H,23,24)/t12-,13+,14+,15+,17-,18+,19+,20+/m0/s1

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InChIKey

GBVSUOGDPKMXFY-MVKFTRDFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBVSUOGDPKMXFY-MVKFTRDFSA-N

(Q105006110)

(1R,4R,5R,6R,9R,10S,13S,14S)-6,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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