(Q104920425)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

ent-17-Acetoxy-16b-kauran-19-al

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₃

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C1CCC34CC(COC(=O)C)C(CCC32)C4

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isomeric SMILES

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

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found in taxon

Annona glabra

1 reference

stated in

Chemical Constituents fromAnnona Glabra

Identifiers

InChI

InChI=1S/C22H34O3/c1-15(24)25-13-17-12-22-10-7-18-20(2,14-23)8-4-9-21(18,3)19(22)6-5-16(17)11-22/h14,16-19H,4-13H2,1-3H3/t16-,17-,18-,19+,20+,21-,22+/m1/s1

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InChIKey

AXCCTUATUTWPBD-HRXWASAYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXCCTUATUTWPBD-HRXWASAYSA-N

(Q104920425)

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

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