(Q104994256)

English

[(3aS,4S,4aS,5S,8S,8aS,9R,9aS)-9-acetyloxy-5-hydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropoxy)-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

eudesmane sesquiterpenoid

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mass

438.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₈

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canonical SMILES

O=C1OC2C(OC(=O)C)C3(C)C(OC(=O)C)CCC(O)(C)C3C(OCC(C)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OCC(C)C)[C@H]1[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]1(C)[C@H]2OC(C)=O

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found in taxon

Wedelia triloba

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stated in

ent-Kaurane Diterpenes and Further Constituents from Wedelia trilobata

Sphagneticola trilobata

1 reference

stated in

ent-Kaurane Diterpenes and Further Constituents from Wedelia trilobata

Identifiers

InChI

InChI=1S/C23H34O8/c1-11(2)10-28-17-16-12(3)21(26)31-18(16)20(30-14(5)25)23(7)15(29-13(4)24)8-9-22(6,27)19(17)23/h11,15-20,27H,3,8-10H2,1-2,4-7H3/t15-,16-,17-,18-,19-,20-,22-,23+/m0/s1

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InChIKey

FEXGKPQUFQIACK-WLDZLKMPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104994256)

[(3aS,4S,4aS,5S,8S,8aS,9R,9aS)-9-acetyloxy-5-hydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropoxy)-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] acetate

Statements

Identifiers

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