(Q105182567)

English

[(1S,2S,3aR,5R,6E,10R,11S,13R,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-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

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

1 reference

based on heuristic

inferred from SMILES

mass

620.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₁₂

0 references

canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(OC(=O)C)C(=O)C(C=CC(C(=O)C1OC(=O)C(C)C)(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(OC(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/C32H44O12/c1-15(2)30(39)43-27-26(42-21(8)35)18(5)25(41-20(7)34)23-24(40-19(6)33)17(4)14-32(23,44-22(9)36)28(37)16(3)12-13-31(10,11)29(27)38/h12-13,15-17,23-27H,5,14H2,1-4,6-11H3/b13-12+/t16-,17+,23-,24+,25+,26+,27-,32-/m1/s1

0 references

InChIKey

NOFXXAHHOJWYAL-ZEQHQKSXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NOFXXAHHOJWYAL-ZEQHQKSXSA-N

(Q105182567)

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

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Identifiers

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