1β-Hydroxytorilin

CAS	509078-16-4
Synonyms	1beta-Hydroxytorilin
IUPAC Name	[(5S,6R,8S,8aS)-5-(2-acetyloxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
Molecular Weight	392.49
Molecular Formula	C22H32O6
Canonical SMILES	C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@]2(CC(=O)C(=C2C[C@@H]1C(C)(C)OC(=O)C)C)O)C
InChI	InChI=1S/C22H32O6/c1-8-12(2)20(25)27-19-9-13(3)22(26)11-18(24)14(4)16(22)10-17(19)21(6,7)28-15(5)23/h8,13,17,19,26H,9-11H2,1-7H3/b12-8-/t13-,17-,19+,22-/m0/s1
InChI Key	YSHITMOTGBUVPS-CKPVPAQKSA-N
Boiling Point	502.5±50.0 °C
Purity	98%
Density	1.14±0.1 g/ml
pKa	12.87±0.70
Appearance	Solid