ergovaline structure, CAS 2873-38-3

ergovaline

CAS Number2873-38-3

Synonyms12'-hydroxy-5'-isopropyl-2'-methyl-ergotamane-18,3',6'-trione; 6-Dodecanone,12-hydroxy-2-methyl; 12-hydroxy-2-methyl-dodecan-6-one

Molecular FormulaC29H35N5O5

Molecular Weight533.61900

Purity98%%

Density1.45g/cm3

Boiling Point859.1ºC at 760 mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-4180783 Purity: 98%%
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Quality Control of [ 2873-38-3 ] Purity: 98%% SDS Specification MoL

Chemical & Physical Properties
CAS Number2873-38-3
Catalog No.2A-4180783
Chinese Nameergovaline
Synonyms12'-hydroxy-5'-isopropyl-2'-methyl-ergotamane-18,3',6'-trione; 6-Dodecanone,12-hydroxy-2-methyl; 12-hydroxy-2-methyl-dodecan-6-one
Molecular FormulaC29H35N5O5
Molecular Weight533.61900
Purity98%
Density1.45g/cm3
Boiling Point859.1ºC at 760 mmHg
PubChem ID24449938
SMILESCC(C)C1C(=O)N2CCCC2C2(O)OC(C)(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)C(=O)N12
InChIInChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1
InChI KeyBGHDUTQZGWOQIA-VQSKNWBGSA-N
Transport InfoProduct name: Ergovaline
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