Rupestonic acid

Datasheet MSDS
Catalog Number
ANC01892
Product Name
Rupestonic acid
Structure
Rupestonic acid
CAS Number
115473-63-7
IUPAC Name
2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
Synonyms
rupestonic acid; (5S,8S,8aS)-1,2,4,5,6,7,8,8a-Octahydro-3,8-dimethyl-alpha-methylene-2-oxo-5-azuleneacetic acid; 2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoicaci
Molecular Formula
C15H20O3
Molecular Weight
248.32
Appearance
Powder
Purity
>95%
SMILES
C[C@H]1CC[C@@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11-,12-/m0/s1
InChI Key
ZFHSKBJBODQVBX-UWJYBYFXSA-N
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