Saponaroside

Product Specifications

CAS Number

24404-48-6

Synonyms

(3β,4α)-3-(β-D-Xylopyranosyloxy)-olean-12-ene-23,28-dioic Acid

Hazard Statement

No Data Available

Smiles

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](C(O)=O)(C)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)CC3)[H])(CC=C5[C@@]2(C)CC[C@@]6(C(O)=O)[C@]5(CC(C)(C)CC6)[H])[H]

Molecular Formula

C35H54O9

Molecular Weight

618.8

InChI

InChI=1S/C35H54O9/c1-30(2)13-15-35(29(41)42)16-14-32(4)19(20(35)17-30)7-8-22-31(3)11-10-24(44-27-26(38)25(37)21(36)18-43-27)34(6,28(39)40)23(31)9-12-33(22,32)5/h7,20-27,36-38H,8-18H2,1-6H3,(H,39,40)(H,41,42)/t20-,21+,22+,23+,24-,25-,26+,27-,31+,32+,33+,34-,35+/m0/s1

Additionnal Information

IUPAC name: (3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid