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8'-hydroxydihydroergotamine structure, CAS 90650-44-5

8'-hydroxydihydroergotamine

CAS Number90650-44-5

Synonyms(5'|A,10|A)-9,10-Dihydro-8',12'-dihydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione; 8'-Hydroxy Dihydro Ergotamine(Mixture of Diastereomers); (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; 8'-Hydroxydihydroergotamine

Molecular FormulaC33H37N5O6

Molecular Weight599.677

Purity98%

Density1.5±0.1 g/cm3

Boiling Point937.6±65.0 °C at 760 mmHg

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Cat. No.: 2A-9091635 Purity: 98%
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Quality Control of [ 90650-44-5 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number90650-44-5
Catalog No.2A-9091635
Chinese Name(5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
Synonyms(5'|A,10|A)-9,10-Dihydro-8',12'-dihydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione; 8'-Hydroxy Dihydro Ergotamine(Mixture of Diastereomers); (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; 8'-Hydroxydihydroergotamine
Molecular FormulaC33H37N5O6
Molecular Weight599.677
Purity98
Density1.5±0.1 g/cm3
Boiling Point937.6±65.0 °C at 760 mmHg
PubChem ID187874040
SMILESCN1CC(C(=O)NC2(C)OC3(O)C4CCC(O)N4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C33H37N5O6/c1-32(35-29(40)20-14-22-21-9-6-10-23-28(21)19(16-34-23)15-24(22)36(2)17-20)31(42)38-25(13-18-7-4-3-5-8-18)30(41)37-26(11-12-27(37)39)33(38,43)44-32/h3-10,16,20,22,24-27,34,39,43H,11-15,17H2,1-2H3,(H,35,40)/t20-,22?,24-,25+,26+,27?,32-,33+/m1/s1
InChI KeyAHRNWGXNCFKOII-UYPVSMPXSA-N
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