(Q105345158)

English

[(3S,3aR,4S,6R,6aS,9R,9aS,9bS)-6,6a,9-trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,6a,9-Trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

368.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈O₇

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2(O)C=CC(O)(C)C2C3OC(=O)C(C)C13)C(C)C

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isomeric SMILES

CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12

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found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C19H28O7/c1-9(2)15(20)25-11-8-18(5,23)19(24)7-6-17(4,22)14(19)13-12(11)10(3)16(21)26-13/h6-7,9-14,22-24H,8H2,1-5H3/t10-,11-,12+,13-,14-,17+,18+,19-/m0/s1

0 references

InChIKey

XZSXZVXLFVLPCM-WUPXPDRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XZSXZVXLFVLPCM-WUPXPDRHSA-N

(Q105345158)

[(3S,3aR,4S,6R,6aS,9R,9aS,9bS)-6,6a,9-trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate

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