(Q104980119)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

jatrophane diterpenoid

0 references

mass

592.25197672 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₁₂

0 references

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)C1)(C)C)C)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)CC(=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 semiperfoliata

1 reference

stated in

Macrocyclic Diterpenoids fromEuphorbiasemiperfoliata

Identifiers

InChI

InChI=1S/C30H40O12/c1-15-11-12-28(8,9)23(36)13-22(38-17(3)31)16(2)25(39-18(4)32)24-27(40-19(5)33)29(10,41-20(6)34)14-30(24,26(15)37)42-21(7)35/h11-12,15,22,24-25,27H,2,13-14H2,1,3-10H3/b12-11+/t15-,22-,24+,25+,27-,29-,30-/m0/s1

0 references

InChIKey

DHHVTLZJOAQUPG-DWJNZQNJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHHVTLZJOAQUPG-DWJNZQNJSA-N

(Q104980119)

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

Statements

Identifiers

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