(Q104998347)

English

[(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

{5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

330.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S)-18-Acetoxykaur-16-ene

1 reference

based on heuristic

inferred from InChIKey

[(1S,4R,5S,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₂H₃₄O₂

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CCC34CC(=C)C(CCC32)C4)C

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isomeric SMILES

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

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found in taxon

Casearia corymbosa

1 reference

stated in

Clerodane diterpenes from Casearia corymbosa stem bark

Espeletiopsis guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Espeletia guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Identifiers

InChI

InChI=1S/C22H34O2/c1-15-12-22-11-8-18-20(3,14-24-16(2)23)9-5-10-21(18,4)19(22)7-6-17(15)13-22/h17-19H,1,5-14H2,2-4H3/t17-,18-,19+,20+,21-,22-/m1/s1

0 references

InChIKey

FNLMCLYZRZJKQZ-KQFPAPQFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNLMCLYZRZJKQZ-KQFPAPQFSA-N

1 reference

(Q104998347)

[(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

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Identifiers

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