CAS 89412-79-3 Raddeanin A - Analytical Products / Alfa Chemistry

CAT	APS89412793
CAS	89412-79-3
Structure
Synonyms	Raddeanoside R3,Raddeanin R3
IUPAC Name	(4aR,6aS,6aR,6bS,8aS,10R,12aS,14bR)-10-[(2S,3R,4S,5S)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	897.10
Molecular Formula	C47H76O16
Canonical SMILES	C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3O[C@@H]4CC[C@]5(C)[C@H](CC[C@@]6(C)[C@H]5CC=C7[C@H]8CC(C)(C)CC[C@]8(CC[C@]67C)C(=O)O)C4(C)C)[C@@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C47H76O16/c1-22-30(50)33(53)35(55)38(59-22)62-37-34(54)32(52)26(20-48)60-40(37)63-36-31(51)25(49)21-58-39(36)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,44-,45+,46+,47-/m1/s1