Catalog Number:
AG00C7UM
Chemical Name:
3-O-alpha-L-Arabinopyranosylpomolic acid beta-D-glucopyranosyl ester
CAS Number:
35286-58-9
Molecular Formula:
C41H66O13
Molecular Weight:
766.9549
MDL Number:
MFCD13195536
IUPAC Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChI:
InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
InChI Key:
WCHBFWOEFOZHMK-MLHVESHNSA-N
SMILES:
OCC1OC(OC(=O)C23CCC(C(C3C3=CCC4C(C3(CC2)C)(C)CCC2C4(C)CCC(C2(C)C)OC2OCC(C(C2O)O)O)(C)O)C)C(C(C1O)O)O
