(Q105292799)

English

[(1S,4S,6R,9S,10S,13R,14S)-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[14-(Hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

388.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC34CC(CO)C(CCC23)C4)C1(C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@H](CO)[C@H](CC[C@@H]32)C4)C1(C)C

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found in taxon

Robinsonia evenia

1 reference

stated in

Kaurane derivatives from Robinsonia evenia

Identifiers

InChI

InChI=1S/C25H40O3/c1-6-16(2)22(27)28-21-10-11-24(5)19(23(21,3)4)9-12-25-13-17(7-8-20(24)25)18(14-25)15-26/h6,17-21,26H,7-15H2,1-5H3/b16-6-/t17-,18-,19-,20-,21-,24-,25+/m1/s1

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InChIKey

VTKKITYVYNJTMZ-AVKQHMBFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VTKKITYVYNJTMZ-AVKQHMBFSA-N

(Q105292799)

[(1S,4S,6R,9S,10S,13R,14S)-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate

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Identifiers

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