(3α)-Allopregnanolone 3-β-D-Glucuronide


CAS No. : 31300-86-4

(3α)-Allopregnanolone 3-β-D-Glucuronide,31300-86-4
Product Details
Cat No:R039631
Synonyms:(3α,5α)-20-Oxopregnan-3-yl β-D-Glucopyranosiduronic Acid; 20-Oxo-5α-pregnan-3α-yl β-D-Glucopyranosiduronic Acid; 20-Oxo-5α-pregnan-3α-yl Glucosiduronic Acid; 3α-Hydroxy-5α-pregnan-20-one Glucuronide;
Molecular Formula:C27H42O8
Molecular Weight:494.625
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Cat No:R039631
Cas No:31300-86-4
Product-Name:(3α)-Allopregnanolone 3-β-D-Glucuronide
IUPAC Name:(2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:InChI=1S/C27H42O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h14-23,25,29-31H,4-12H2,1-3H3,(H,32,33)/t14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1
InChIKey:MTPPQBWTGIHMPB-WONTYKMSSA-N
SMILES:CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C
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