(Q105326121)

English

[(1R,2R,3aS,5R,6E,10R,11S,13R,13aS)-1,2,11,13-tetraacetyloxy-3a-(acetyloxymethyl)-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,2,11,13-tetraacetyloxy-3a-(acetyloxymethyl)-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

692.304406216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₄

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canonical SMILES

O=C(OCC12C(=O)C(C=CC(C(=O)C(OC(=O)C(C)C)C(OC(=O)C)C(=C)C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)(C)C1)(C)C)C)C

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isomeric SMILES

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

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C35H48O14/c1-17(2)32(43)48-28-27(46-22(7)38)19(4)26(45-21(6)37)25-31(47-23(8)39)34(12,49-24(9)40)15-35(25,16-44-20(5)36)29(41)18(3)13-14-33(10,11)30(28)42/h13-14,17-18,25-28,31H,4,15-16H2,1-3,5-12H3/b14-13+/t18-,25+,26+,27+,28-,31-,34-,35-/m1/s1

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InChIKey

XDXLPZZXYOVRIB-IFMZFYNLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XDXLPZZXYOVRIB-IFMZFYNLSA-N

(Q105326121)

[(1R,2R,3aS,5R,6E,10R,11S,13R,13aS)-1,2,11,13-tetraacetyloxy-3a-(acetyloxymethyl)-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate

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Identifiers

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