(Q105276987)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

592.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₁₂

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canonical SMILES

O=C(OC1C(=O)C(C=CC(C(=O)C2(OC(=O)C)CC(C)C(OC(=O)C)C2C(OC(=O)C)C(=C)C1OC(=O)C)C)(C)C)C

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isomeric SMILES

C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)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 turczaninowii

2 references

stated in

New jatrophane diterpenoid esters from Euphorbia turczaninowii

stated in

New jatrophane diterpenoid esters from Euphorbia turczaninowii

Identifiers

InChI

InChI=1S/C30H40O12/c1-14-11-12-29(9,10)28(37)26(41-20(7)34)25(40-19(6)33)16(3)24(39-18(5)32)22-23(38-17(4)31)15(2)13-30(22,27(14)36)42-21(8)35/h11-12,14-15,22-26H,3,13H2,1-2,4-10H3/b12-11+/t14-,15-,22+,23-,24-,25-,26+,30+/m0/s1

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InChIKey

UPTNFUQUSAAOHY-XCAXMEGUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UPTNFUQUSAAOHY-XCAXMEGUSA-N

1 reference

(Q105276987)

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

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Identifiers

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