(Q105220405)

English

(1R,2R,4R,7R,8R,9R,12R,13R,16S,18R)-1,2,4,13,17,17-hexamethyl-7-prop-1-en-2-ylpentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-ol

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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412.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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1 reference

CHEMICAL CONSTITUENTS FROM THE ROOTS OF BOMBAX ANCEPS

Identifiers

InChI=1S/C29H48O/c1-18(2)19-11-14-26(5)17-29(8)20(24(19)26)9-10-22-27(6)15-13-23(30)25(3,4)21(27)12-16-28(22,29)7/h19-24,30H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1

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QGLZZXBNAZUHDF-XJJQXQETSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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