(Q115949728)

English

1-O-[[(3aS,5Z)-4-acetyloxy-1-(2-acetyloxypropan-2-yl)-9-hydroperoxy-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methyl] 5-O-methyl 3-hydroxy-3-methylpentanedioate

group of stereoisomers with the chemical formula C₃₁H₄₈O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.319662356 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₁₁

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canonical SMILES

O=C(OC1C=C(COC(=O)CC(O)(C)CC(=O)OC)CCC(OO)C(=C)CCC2C(CCC12C)C(OC(=O)C)(C)C)C

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isomeric SMILES

C=C1CCC2C(C(C)(C)OC(C)=O)CC[C@]2(C)C(OC(C)=O)/C=C(\COC(=O)CC(C)(O)CC(=O)OC)CCC1OO

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found in taxon

Cleome droserifolia

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stated in

Terpenes and flavonoids from an Egyptian collection of Cleome droserifolia.

Identifiers

InChI

InChI=1S/C31H48O11/c1-19-9-11-24-23(29(4,5)41-21(3)33)13-14-31(24,7)26(40-20(2)32)15-22(10-12-25(19)42-37)18-39-28(35)17-30(6,36)16-27(34)38-8/h15,23-26,36-37H,1,9-14,16-18H2,2-8H3/b22-15-/t23?,24?,25?,26?,30?,31-/m0/s1

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InChIKey

DWXQHGGTYGGNFZ-ZJNLILGDSA-N

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1 reference

2 January 2023

inferred from InChIKey

(Q115949728)

1-O-[[(3aS,5Z)-4-acetyloxy-1-(2-acetyloxypropan-2-yl)-9-hydroperoxy-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-6-yl]methyl] 5-O-methyl 3-hydroxy-3-methylpentanedioate

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Identifiers

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