(Q105245843)

English

[9,10,11-Triacetyloxy-1,3a-dihydroxy-2,5,8,8-tetramethyl-2-(2-methylbutanoyloxy)-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₆H₅₄O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

mass

694.356441788 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₁₃

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C(C)CC)C2C(O)C(OC(=O)C(C)CC)(C)CC2(O)C(=O)C(C=CC(C)(C)C(OC(=O)C)C1OC(=O)C)C)C

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found in taxon

Euphorbia lamarckii

1 reference

stated in

Terracinolides from Euphorbia terracina

Identifiers

InChI

InChI=1S/C36H54O13/c1-13-18(3)32(42)48-26-21(6)27(45-22(7)37)28(46-23(8)38)31(47-24(9)39)34(10,11)16-15-20(5)29(40)36(44)17-35(12,30(41)25(26)36)49-33(43)19(4)14-2/h15-16,18-20,25-28,30-31,41,44H,6,13-14,17H2,1-5,7-12H3

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InChIKey

RUVWLTFGVRKTJD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RUVWLTFGVRKTJD-UHFFFAOYSA-N

(Q105245843)

[9,10,11-Triacetyloxy-1,3a-dihydroxy-2,5,8,8-tetramethyl-2-(2-methylbutanoyloxy)-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] 2-methylbutanoate

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Identifiers

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