(Q104952111)

English

(Z)-4-[(4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₂₅H₃₄O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

414.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₅

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canonical SMILES

O=C(O)C(=CCC1C(=CC23C(=O)C(C=C(C)C(O)C12O)C4C(CC3C)C4(C)C)C)C

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isomeric SMILES

CC1=CC23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]2(O)[C@H]1C/C=C(/C)C(=O)O)[C@H]1[C@@H](C[C@H]3C)C1(C)C

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found in taxon

Euphorbia peplus

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stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C25H34O5/c1-12(22(28)29)7-8-17-14(3)11-24-15(4)10-18-19(23(18,5)6)16(21(24)27)9-13(2)20(26)25(17,24)30/h7,9,11,15-20,26,30H,8,10H2,1-6H3,(H,28,29)/b12-7-/t15-,16+,17+,18-,19+,20-,24?,25-/m1/s1

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InChIKey

CAZLJSUHQGDXKU-KVBDUFDRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CAZLJSUHQGDXKU-KVBDUFDRSA-N

(Q104952111)

(Z)-4-[(4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]-2-methylbut-2-enoic acid

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Identifiers

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