(Q105215643)

English

[(3aR,4R,6aR,9S,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(9-Hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-(acetyloxymethyl)-4-hydroxybut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₈

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)COC(=O)C)CC(=C)C3C=CC(O)(C)C23

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isomeric SMILES

C=C1C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C=C[C@]2(C)O

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found in taxon

Helogyne apaloidea

1 reference

stated in

Helogynic acid, a homoditerpene, and other constituents from Helogyne apaloidea

Identifiers

InChI

InChI=1S/C22H26O8/c1-11-9-16(29-21(26)14(6-8-23)10-28-13(3)24)17-12(2)20(25)30-19(17)18-15(11)5-7-22(18,4)27/h5-7,15-19,23,27H,1-2,8-10H2,3-4H3/b14-6+/t15-,16+,17+,18-,19-,22-/m0/s1

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InChIKey

PVWFUOBUMUCKGB-FDFRDDJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PVWFUOBUMUCKGB-FDFRDDJLSA-N

(Q105215643)

[(3aR,4R,6aR,9S,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate

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Identifiers

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