(Q105015956)

English

[12-Hydroxy-6-(hydroxymethyl)-2,6,13-trimethyl-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate

group of stereoisomers with the chemical formula C₂₇H₃₈O₄

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Statements

group of stereoisomers

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chemical compound

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426.277009696 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₄

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canonical SMILES

O=C(OC1CC2CC(O)C3(C)CCC2(C3)C4(C)CCCC(C)(CO)C14)C=5C=CC=CC5

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Scoparia dulcis

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Cytotoxic Diterpenoids from Scoparia dulcis

Identifiers

InChI=1S/C27H38O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-22,28-29H,7,10-17H2,1-3H3

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GRHQTTJLYWYUIY-UHFFFAOYSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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