(Q105031377)

English

[(4S,6R,6aS,9R,10S,10aS)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

496.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₁₁

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canonical SMILES

O=C(OC1C2=C(C(=O)OC23C(OC(=O)C)C(O)(C)CCC3(O)C(OC(=O)C)(C)C1)COC)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@@]2(O)CC[C@@](C)(O)[C@H](OC(C)=O)[C@]23OC(=O)C(COC)=C13

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found in taxon

Vernonia menthaefolia

1 reference

stated in

Sesquiterpenic Lactones of Some Species of Genus Vernonia SCHREB.

Vernonanthura menthaefolia

1 reference

stated in

Sesquiterpenic Lactones of Some Species of Genus Vernonia SCHREB.

Identifiers

InChI

InChI=1S/C24H32O11/c1-12(2)18(27)33-16-10-22(6,34-14(4)26)23(30)9-8-21(5,29)20(32-13(3)25)24(23)17(16)15(11-31-7)19(28)35-24/h16,20,29-30H,1,8-11H2,2-7H3/t16-,20-,21+,22+,23-,24-/m0/s1

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InChIKey

HOMCMRVLJZABGH-BCCBLGIKSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105031377)

[(4S,6R,6aS,9R,10S,10aS)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate

Statements

Identifiers

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