(Q104915380)

English

(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-hydroxy-6,9-dimethyl-3-methylidene-3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

246.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR)-2,3,3abeta,4,5,7,9abeta,9balpha-Octahydro-6,9-dimethyl-3-methylene-4alpha-hydroxyazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₈O₃

0 references

canonical SMILES

O=C1OC2C3C(=CCC3=C(C)CC(O)C2C1=C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)C[C@H](O)[C@@H]12

0 references

found in taxon

Picradeniopsis oppositifolia

1 reference

stated in

Three guaianolides from Bahia oppositifolia

Stevia myriadenia

1 reference

stated in

Sesquiterpenes, guaianolides and diterpenes from Stevia myriadenia

Identifiers

InChI

InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h4,11-14,16H,3,5-6H2,1-2H3/t11-,12-,13+,14+/m0/s1

0 references

InChIKey

ANSNHOYHRRPFIU-IGQOVBAYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANSNHOYHRRPFIU-IGQOVBAYSA-N

(Q104915380)

(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

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