(Q105225448)

English

[(1S,2S,3aR,4R,5R,6E,11R,13R,13aR)-4,11,13-triacetyloxy-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

chemical compound

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instance of

type of chemical entity

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subclass of

(4,11,13-triacetyloxy-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

598.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₁₀

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canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C(C=CC(C(=O)CC(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)CC(=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 guyoniana

1 reference

stated in

Bioactive jatrophane diterpenes from Euphorbia guyoniana.

Euphorbia hyberna

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1

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InChIKey

QPKPYRGCZAZZJU-STMFRTFUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPKPYRGCZAZZJU-STMFRTFUSA-N

1 reference

(Q105225448)

[(1S,2S,3aR,4R,5R,6E,11R,13R,13aR)-4,11,13-triacetyloxy-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

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Identifiers

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