(Q105246437)

English

(2S,4R,6S,7R,10E,12R,13R)-1,2,3,3abeta,4,5,6,7,9,12,13,13a-Dodecahydro-2alpha,9,9,12-tetramethyl-3alpha-(benzoyloxy)-4,6,7,13-tetraacetoxy-5-methylene-13aalpha-hydroxy-8H-cyclopentacyclododecen-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4,10,11,13-tetraacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-9-oxo-2,3,4,5,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

656.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₄O₁₂

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canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C(C=CC(C(=O)C(OC(=O)C)C(OC(=O)C)C(=C)C(OC(=O)C)C12)(C)C)C)C=3C=CC=CC3

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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@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O

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found in taxon

Euphorbia hyberna

1 reference

stated in

Macrocyclic diterpenoids from Euphorbia hyberna L. subsp. insularis and their reaction with oxyphilic reagents

Identifiers

InChI

InChI=1S/C35H44O12/c1-18-15-16-34(8,9)31(40)30(45-23(6)38)29(44-22(5)37)20(3)28(43-21(4)36)26-27(47-33(41)25-13-11-10-12-14-25)19(2)17-35(26,42)32(18)46-24(7)39/h10-16,18-19,26-30,32,42H,3,17H2,1-2,4-9H3/b16-15+/t18-,19+,26-,27+,28+,29+,30-,32-,35-/m1/s1

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InChIKey

RWCCSDWQXFKGJW-LDHUFNJZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RWCCSDWQXFKGJW-LDHUFNJZSA-N

1 reference

(Q105246437)

(2S,4R,6S,7R,10E,12R,13R)-1,2,3,3abeta,4,5,6,7,9,12,13,13a-Dodecahydro-2alpha,9,9,12-tetramethyl-3alpha-(benzoyloxy)-4,6,7,13-tetraacetoxy-5-methylene-13aalpha-hydroxy-8H-cyclopentacyclododecen-8-one

Statements

Identifiers

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