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Pregnanolone 3-b-D-Glucuronide, TRC

Product Code. 30427561
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Product Code. 30427561 Supplier Toronto Research Chemicals Supplier No. TRCP7113101MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material Pregnanolone 3-beta-D-Glucuronide
CAS 31329-54-1
Molecular Formula C27H42O8
Quantity 1 mg
Synonym (3α,5β)-20-Oxopregnan-3-yl β-D-Glucopyranosiduronic Acid, 20-Oxo-5β-pregnan-3α-yl β-D-Glucopyranosiduronic Acid, 3α-Hydroxy-5β-pregnan-20-one Glucuronide, Pregnanolone 3-Glucuronide, Pregnanolone Glucuronide
InChI Formula 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-/m1/s1
SMILES [H][C@@]12CC[C@]3([H])C[C@H](O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])CC[C@@H]5C(C)=O
IUPAC Name (2S,3S,4S,5R,6R)-6-[[(3R,5R,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
Molecular Weight (g/mol) 494.62
Formula Weight 494.288
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