(Q105326531)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

ent-17-Hydroxykaur-15-en-19-oic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ent-17-Hydroxykaur-15-en-19-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34C=C(CO)C(CCC32)C4

0 references

isomeric SMILES

C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)C3

0 references

found in taxon

Crassothonna sedifolia

1 reference

stated in

Sesquiterpene derivatives from othonna and related species

Identifiers

InChI

InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15+,16+,18-,19+,20+/m1/s1

0 references

InChIKey

XEQHVCXFKPCQNM-BVMRNNIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XEQHVCXFKPCQNM-BVMRNNIPSA-N

(Q105326531)

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

Statements

Identifiers

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