(Q105121330)

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] 2-methylpropanoate

chemical compound

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Statements

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-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₇

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canonical SMILES

O=C1OC2CC3(C(=C(C)C(OC(=O)C(C)C)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(C)C)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/C23H32O7/c1-10(2)20(25)28-14-8-16(24)23(7)9-15-17(13(6)22(27)29-15)19(18(23)12(14)5)30-21(26)11(3)4/h10-11,14-17,19,24H,6,8-9H2,1-5,7H3/t14-,15+,16-,17+,19-,23+/m0/s1

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InChIKey

IVVXCLJQSCBHEA-QCFLBALZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IVVXCLJQSCBHEA-QCFLBALZSA-N

(Q105121330)

[(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] 2-methylpropanoate

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