(Q105255778)

English

[(1S,2S,3aR,5R,6E,10R,11S,13R,13aR)-1,11,13-triacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3a-(2-oxopropyl)-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-10-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,11,13-Triacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3a-(2-oxopropyl)-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-10-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

618.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₁₁

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(C(=O)C(C=CC(C(=O)C1OC(=O)C(C)C)(C)C)C)CC(=O)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(CC(C)=O)C[C@H](C)[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/C33H46O11/c1-16(2)31(40)44-28-27(43-23(9)37)20(6)26(42-22(8)36)24-25(41-21(7)35)18(4)14-33(24,15-19(5)34)29(38)17(3)12-13-32(10,11)30(28)39/h12-13,16-18,24-28H,6,14-15H2,1-5,7-11H3/b13-12+/t17-,18+,24-,25+,26+,27+,28-,33-/m1/s1

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InChIKey

SLZNZYANPUQEBD-GLPYBOBHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLZNZYANPUQEBD-GLPYBOBHSA-N

(Q105255778)

[(1S,2S,3aR,5R,6E,10R,11S,13R,13aR)-1,11,13-triacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3a-(2-oxopropyl)-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-10-yl] 2-methylpropanoate

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Identifiers

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