(Q105142801)

English

(1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5alpha,8,8-tetramethyl-10alpha-(2-methylbutyryloxy)-12-methylene-2,3,3a,4,5,8,9,10,11,12,13,13aalpha-dodecahydro-1H-cyclopentacyclododecene-4,9-dione

group of stereoisomers with the chemical formula C₃₅H₄₈O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

jatrophane diterpenoid

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inferred from

jatrophane diterpenoid

mass

692.304406216 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₄

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)(C)CC2(OC(=O)C)C(=O)C(C=CC(C(=O)C1OC(=O)C(C)CC)(C)C)C)C

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isomeric SMILES

C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C(C)CC)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O

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found in taxon

Euphorbia paralias

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stated in

Molluscicidal and anti-feedant activities of diterpenes from Euphorbia paralias L.

Identifiers

InChI

InChI=1S/C35H48O14/c1-13-17(2)32(43)47-28-27(45-21(6)37)19(4)26(44-20(5)36)25-31(46-22(7)38)34(12,48-23(8)39)16-35(25,49-24(9)40)29(41)18(3)14-15-33(10,11)30(28)42/h14-15,17-18,25-28,31H,4,13,16H2,1-3,5-12H3/b15-14+/t17?,18-,25+,26+,27+,28-,31-,34-,35-/m1/s1

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InChIKey

KLSSFMQBLMDBRQ-WCSXKCKPSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105142801)

(1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5alpha,8,8-tetramethyl-10alpha-(2-methylbutyryloxy)-12-methylene-2,3,3a,4,5,8,9,10,11,12,13,13aalpha-dodecahydro-1H-cyclopentacyclododecene-4,9-dione

Statements

Identifiers

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