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Product Overview

Product Code

TRC-D231050

CAS Number

81149-12-4

Product Format

Neat

Molecular Formula

C32H37N5O6

Molecular Weight

587.67

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(5'alpha,10alpha)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone

CAS Number

81149-12-4

Molecular Formula

C32H37N5O6

Molecular Weight

587.67

Accurate Mass

587.2744

SMILES

O=C1C=2C(N)=CC=CC2C3CC(C(=O)NC4(OC5(O)N(C4=O)C(C(=O)N6CCCC65)CC=7C=CC=CC7)C)CN(C)C3C1

InChI

InChI=1S/C32H37N5O6/c1-31(34-28(39)19-15-21-20-10-6-11-22(33)27(20)25(38)16-23(21)35(2)17-19)30(41)37-24(14-18-8-4-3-5-9-18)29(40)36-13-7-12-26(36)32(37,42)43-31/h3-6,8-11,19,21,23-24,26,42H,7,12-17,33H2,1-2H3,(H,34,39)/t19-,21-,23-,24+,26+,31-,32+/m1/s1

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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(5'Alpha,10Alpha)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone

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