(Q105155185)

English

[(3aR,4S,6S,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-6-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[8-hydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-6-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

434.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₇

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canonical SMILES

O=C1OC2CC3(C(=C(C)C(OC(=O)C(C)CC)CC3O)C(OC(=O)C(C)C)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]3(C)C(=C(C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]3O)[C@@H](OC(=O)C(C)C)[C@H]12

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found in taxon

Aspilia foliosa

1 reference

stated in

Steiractinolide ausAspilia- undWedelia-Arten

Identifiers

InChI

InChI=1S/C24H34O7/c1-8-12(4)22(27)29-15-9-17(25)24(7)10-16-18(14(6)23(28)30-16)20(19(24)13(15)5)31-21(26)11(2)3/h11-12,15-18,20,25H,6,8-10H2,1-5,7H3/t12-,15+,16-,17+,18-,20+,24-/m1/s1

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InChIKey

LPHRYJJWDSKTFA-ZZTALJPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LPHRYJJWDSKTFA-ZZTALJPYSA-N

(Q105155185)

[(3aR,4S,6S,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-6-yl] (2R)-2-methylbutanoate

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