Quinovic Acid 3-O-Alpha-L-Rhamnopyranoside

CAS	104055-76-7
Structure
Synonyms	Quinovic acid 3-O-rhamnoside
IUPAC Name	(1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Molecular Weight	632.82
Molecular Formula	C36H56O9
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O
InChI	InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20+,22?,23-,24+,25+,26+,27-,28-,29+,33+,34-,35+,36-/m1/s1
InChI Key	PUOQHFWXBKTHST-KOTQZWMJSA-N
Purity	98%
Appearance	Solid