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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 9,10alpha-dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione methanesulphonate
9,10alpha-dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione methanesulphonate structure, CAS 29261-93-6

9,10alpha-dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione methanesulphonate

CAS Number29261-93-6

Synonyms9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione methanesulphonate; EINECS 249-537-4; 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; C13167; Dihydro-alpha-ergocryptine mesylate

Molecular FormulaC33H47N5O8S

Molecular Weight673.82000

Purity98%%

Density

Boiling Point848.7ºC at 760mmHg

Melting Point

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-4182080 Purity: 98%%
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Quality Control of [ 29261-93-6 ] Purity: 98%% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number29261-93-6
Catalog No.2A-4182080
Chinese Name(5α,5'α,8α,10β)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-tri oxo-9,10-dihydroergotaman methanes
Synonyms9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione methanesulphonate; EINECS 249-537-4; 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; C13167; Dihydro-alpha-ergocryptine mesylate
Molecular FormulaC33H47N5O8S
Molecular Weight673.82000
Purity98%
Boiling Point848.7ºC at 760mmHg
PubChem ID585231
SMILESCC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.C[S](O)(=O)=O
InChIInChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1
InChI KeyInChIKey=TZGKQIBPZOZAKF-PJLVGBPESA-N
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