(Q105351077)

English

[(3aR,4R,6aS,9aR,9bS)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6a-Hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

332.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₅

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)C)CC(=C)C3(O)CC=C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)CC(=C)[C@]1(O)CC=C(C)[C@H]21

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found in taxon

Calea subcordata

1 reference

stated in

Guaianolides from Calea subcordata

Identifiers

InChI

InChI=1S/C19H24O5/c1-9(2)17(20)23-13-8-11(4)19(22)7-6-10(3)15(19)16-14(13)12(5)18(21)24-16/h6,9,13-16,22H,4-5,7-8H2,1-3H3/t13-,14-,15-,16+,19-/m1/s1

0 references

InChIKey

YNPWRXLOAYTDQM-GMKVZWAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNPWRXLOAYTDQM-GMKVZWAMSA-N

(Q105351077)

[(3aR,4R,6aS,9aR,9bS)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate

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