(Q110178960)

English

3-[[(1R,4aR,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]oxy]-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₂₂H₃₂O₄

In more languages

Statements

group of stereoisomers

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chemical compound

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360.230059504 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=C(O)CC(=O)OC1(C)CCCC2(C3=CCC(C=C)(C)CC3CCC12)C

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isomeric SMILES

C=C[C@]1(C)CC=C2C(CC[C@@H]3[C@](C)(OC(=O)CC(=O)O)CCC[C@@]23C)C1

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Calceolaria pinifolia

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Antibacterial diterpenes from Calceolaria pinifolia

Identifiers

InChI=1S/C22H32O4/c1-5-20(2)12-9-16-15(14-20)7-8-17-21(16,3)10-6-11-22(17,4)26-19(25)13-18(23)24/h5,9,15,17H,1,6-8,10-14H2,2-4H3,(H,23,24)/t15?,17-,20+,21-,22+/m0/s1

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BTAAEEJRNAVSQS-XJCCISBASA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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