Quinovic Acid 3-O-(3',4'-O-Isopropylidene)-Beta-D-Fucopyranoside

CAS	182132-59-8
Synonyms	(3beta)-3-[[6-Deoxy-3,4-O-(1-methylethylidene)-beta-D-galactopyranosyl]oxy]urs-12-ene-27,28-dioic acid
IUPAC Name	(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Molecular Weight	672.9
Molecular Formula	C39H60O9
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]7[C@H]([C@H](O6)C)OC(O7)(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O
InChI	InChI=1S/C39H60O9/c1-20-12-17-38(32(41)42)18-19-39(33(43)44)23(27(38)21(20)2)10-11-25-36(8)15-14-26(34(4,5)24(36)13-16-37(25,39)9)46-31-28(40)30-29(22(3)45-31)47-35(6,7)48-30/h10,20-22,24-31,40H,11-19H2,1-9H3,(H,41,42)(H,43,44)/t20-,21+,22-,24+,25-,26+,27+,28-,29+,30-,31+,36+,37-,38+,39-/m1/s1
InChI Key	PJTJSVDBSNUINC-MICCIQSSSA-N
Boiling Point	760.4±60.0 °C
Purity	98%
Density	1.23±0.1 g/ml
pKa	4.24±0.70
Appearance	Solid