(Q104957475)

English

[(1S,4S,5R,9S,10S,13R,14S)-5-formyloxy-14-hydroxy-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

(5-Formyloxy-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₅

0 references

canonical SMILES

O=COC1(C)CCCC2(C)C1CCC34CC(CCC32)C(O)(COC(=O)C)C4

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isomeric SMILES

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

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found in taxon

Annona squamosa

1 reference

stated in

New ent-kaurane diterpenoids with anti-platelet aggregation activity from Annona squamosa.

Identifiers

InChI

InChI=1S/C22H34O5/c1-15(24)26-13-22(25)12-21-10-7-17-19(2,18(21)6-5-16(22)11-21)8-4-9-20(17,3)27-14-23/h14,16-18,25H,4-13H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m1/s1

0 references

InChIKey

CGCFVZINVXIAQC-GIGLBJSCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CGCFVZINVXIAQC-GIGLBJSCSA-N

(Q104957475)

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

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