(Q105381299)

English

(1R,2R,4S,5R,9R,10S,11S,12R,13S,14S)-2-hydroxy-5,9,11,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-Hydroxy-5,9,11,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

332.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CC(O)C34CC5C(C(C)C23)C5(C)C4

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isomeric SMILES

C[C@@H]1[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C[C@@H](O)[C@@]23C[C@H]2[C@@H]1[C@@]2(C)C3

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Helianthus grosseserratus

1 reference

Sesquiterpene lactones from Helianthus grosseserratus

Identifiers

InChI=1S/C21H32O3/c1-11-15-12-9-21(10-20(12,15)4)14(22)8-13-18(2,16(11)21)6-5-7-19(13,3)17(23)24/h11-16,22H,5-10H2,1-4H3,(H,23,24)/t11-,12-,13-,14+,15+,16-,18+,19+,20-,21-/m0/s1

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ZPXRZTKOBBFDAC-DTRDSUBRSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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