CAS Number
Molecular Formula
C31H48O12
Product format
Neat
Molecular Weight
612.72
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Simvastatin Acyl-beta-D-glucuronide; 463962-56-3; (3R, 6R)-6-[(3R, 5R)-7-[(1S, 2S, 6R, 8S, 8aR)-8-(2, 2-dimethylbutanoyloxy)-2, 6-dimethyl-1, 2, 6, 7, 8, 8a-hexahydronaphthalen-1-yl]-3, 5-dihydroxyheptanoyl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid; Simvastatin acyl-b-D-glucuronide; C31H48O12; Simvastatin Acyl- beta -D-glucuronide; MS10474; (3R, 6R)-6-[(3R, 5R)-7-[(1S, 2S, 6R, 8S, 8aR)-8-(2, 2-dimethylbutanoyloxy)-2, 6-dimethyl-1, 2, 6, 7, 8, 8a-hexahydronaphthalen-1-yl]-3, 5-dihydroxy-heptanoyl]oxy-3, 4, 5-trihydroxy-tetrahydropyran-2-carboxylic acid; 1-[(betaR, deltaR, 1S, 2S, 6R, 8S, 8aR)-8-(2, 2-Dimethyl-1-oxobutoxy)-1, 2, 6, 7, 8, 8a-hexahydro-beta, delta-dihydroxy-2 and 6-dimethyl-1-naphthaleneheptanoate] beta-D-Glucopyranuronic Acid
Iupac Name
(3R, 6R)-6-[(3R, 5R)-7-[(1S, 2S, 6R, 8S, 8aR)-8-(2, 2-dimethylbutanoyloxy)-2, 6-dimethyl-1, 2, 6, 7, 8, 8a-hexahydronaphthalen-1-yl]-3, 5-dihydroxyheptanoyl]oxy-3, 4 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C31H48O12/c1-6-31(4,5)30(40)41-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(32)13-19(33)14-22(34)42-29-26(37)24(35)25(36)27(43-29)28(38)39/h7-8,11,15-16,18-21,23-27,29,32-33,35-37H,6,9-10,12-14H2,1-5H3,(H,38,39)/t15-,16-,18+,19+,20-,21-,23-,24?,25+,26?,27?,29-/m0/s1
