2,3-Dihydroxypterodontic Acid

CAS	185821-32-3
Synonyms	2α,3β-Dihydroxypterodontic acid
IUPAC Name	2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid
Molecular Weight	266.34
Molecular Formula	C15H22O4
Canonical SMILES	C[C@H]1[C@H]([C@@H](C[C@]2(C1=C[C@@H](CC2)C(=C)C(=O)O)C)O)O
InChI	InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-15(3)7-12(16)13(17)9(2)11(15)6-10/h6,9-10,12-13,16-17H,1,4-5,7H2,2-3H3,(H,18,19)/t9-,10-,12-,13-,15+/m1/s1
InChI Key	MNLUMTSGGLOUCH-WHLPLNIVSA-N
Boiling Point	445.3±45.0 °C
Purity	98%
Density	1.21±0.1 g/ml
pKa	4.21±0.11
Appearance	Solid