12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione
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Product Description
Product
12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione
CAS
511-09-1
Formula
C32H41N5O5
Synonym
12’-hydroxy-2’-(1-methylethyl)-5’-alpha-(2-methylpropyl)ergotaman-3’,6’,18-t; 12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione; 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione; 4-25-00-00964 (Beilstein Handbook Reference); A-ergocryptine; A-ERGOCRYPTINE ERGOT ALKALOID; ALPHA-ERGOCRYPTINE; alpha-Ergokryptine; BRN 0078810; EINECS 208-121-2; ergocryptine; ERGOCRYPTINE95%,98%; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)- (9CI); NSC 169479; UNII-6WFB60157B
Typical Product Specifications
Molecular weight
575.70
EINECS
208-121-2
SMILES
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
InChI
YDOTUXAWKBPQJW-NSLWYYNWSA-N
InChIKey
1S/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
Class
Industry
Functions
12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione
Product Description
Product
12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione
CAS
511-09-1
Formula
C32H41N5O5
Synonym
12’-hydroxy-2’-(1-methylethyl)-5’-alpha-(2-methylpropyl)ergotaman-3’,6’,18-t; 12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione; 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione; 4-25-00-00964 (Beilstein Handbook Reference); A-ergocryptine; A-ERGOCRYPTINE ERGOT ALKALOID; ALPHA-ERGOCRYPTINE; alpha-Ergokryptine; BRN 0078810; EINECS 208-121-2; ergocryptine; ERGOCRYPTINE95%,98%; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)- (9CI); NSC 169479; UNII-6WFB60157B
Typical Product Specifications
Molecular weight
575.70
EINECS
208-121-2
SMILES
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
InChI
YDOTUXAWKBPQJW-NSLWYYNWSA-N
InChIKey
1S/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
Class
Industry
Functions
