(-)-6beta-Hydroxy-5beta,8beta,9beta,10alpha-cleroda-3,13-dien-16,15-olid-18-oic acid

Catalog	BBC771493426
CAS	771493-42-6
Synonyms	6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid
IUPAC Name	(4aR,5S,6R,8S,8aR)-8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Molecular Weight	348.43
Molecular Formula	C20H28O5
Canonical SMILES	C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CCOC3=O)CCC=C2C(=O)O)C)O
InChI	InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m1/s1
InChI Key	VIZZFMPBFLWOFS-JJOBAADDSA-N
Boiling Point	549.8±35.0 °C
Purity	98%
Density	1.188±0.06 g/ml
Appearance	Solid
pKa	4.71±0.70