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Product Overview

Product Code

TRC-A173825

CAS Number

59495-70-4

Product Format

Neat

Molecular Formula

C33H42O12

Molecular Weight

630.68

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

17beta-Acetyl-estradiol 3-(Tri-O-acetyl-beta-D-glucuronic Acid Methyl Ester)

CAS Number

59495-70-4

Molecular Formula

C33H42O12

Molecular Weight

630.68

Accurate Mass

630.2676

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc3[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CCc3c2)OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C33H42O12/c1-16(34)40-26-12-11-25-24-9-7-20-15-21(8-10-22(20)23(24)13-14-33(25,26)5)44-32-30(43-19(4)37)28(42-18(3)36)27(41-17(2)35)29(45-32)31(38)39-6/h8,10,15,23-30,32H,7,9,11-14H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30-,32-,33+/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8R,9S,13S,14S,17S)-17-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

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17Beta-Acetyl-estradiol 3-(Tri-O-acetyl-Beta-D-glucuronic Acid Methyl Ester)

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