Scabioside C

CAS	17233-22-6
Synonyms	(3β)-3-{[4-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hy droxyolean-12-en-28-oic acid
IUPAC Name	10-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	766.97
Molecular Formula	C41H66O13
Canonical SMILES	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C
InChI	InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)54-33-31(47)29(45)24(19-51-33)53-34-32(48)30(46)28(44)23(18-42)52-34/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)
InChI Key	KAYMPWXMHIUNGC-UHFFFAOYSA-N
Boiling Point	881.9±65.0 °C
Melting Point	242-244 °C
Purity	98%
Density	1.35±0.1 g/ml
pKa	4.63±0.70
Appearance	Powder