Serrin A

CAS	845959-98-0
Synonyms	13-Deoxy-10-O-ethyl-8-hydroxyenmein
IUPAC Name	(1S,4S,8R,9R,12R,13S,16R)-9-ethoxy-11-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Molecular Weight	390.48
Molecular Formula	C22H30O6
Canonical SMILES	CCO[C@H]1[C@H]2[C@@]3([C@@H]4CC[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O[C@H]3CCC2(C)C)C(O1)O
InChI	InChI=1S/C22H30O6/c1-5-26-17-15-20(3,4)9-8-14-22(15,19(25)28-17)13-7-6-12-10-21(13,18(24)27-14)16(23)11(12)2/h12-15,17,19,25H,2,5-10H2,1,3-4H3/t12-,13-,14+,15-,17-,19?,21+,22+/m1/s1
InChI Key	BYOLCBRZEMRXHS-BGPRIOEDSA-N
Boiling Point	586.6±50.0 °C
Melting Point	214-216 °C
Purity	98%
Density	1.27±0.1 g/ml
pKa	12.09±0.60
Appearance	Solid