CAS: 511-07-9 - (8α)-5'α-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione

Formula: C₃₅H₃₉N₅O₅

InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1

InChI key: InChIKey=HEFIYUQVAZFDEE-NASJTFDLSA-N

SMILES: O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C(C)C)C5C=C6C=7C=CC=C8NC=C(C87)CC6N(C)C5

Synonyms:

• (5'Alpha,8Alpha)-5'-Benzyl-12'-Hydroxy-2'-(1-Methylethyl)-3',6',18-Trioxoergotaman
• (5Alpha,5'Beta)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)Ergotaman
• (5′α,8α)-12′-Hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione
• (8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
• 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
• Ergocristinine
• Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,8alpha)-
• Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α,8α)-
• Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
• Isoergocristine

Ergocristinine

CAS: 511-07-9

• Formula: C₃₅H₃₉N₅O₅
• Color and Shape: Neat
• Molecular weight: 609.71

Ergocristinine

CAS: 511-07-9

• Formula: C₃₅H₃₉N₅O₅
• Molecular weight: 609.73

Isoergocristine

CAS: 511-07-9

• Formula: C₃₅H₃₉N₅O₅
• Color and Shape: Neat
• Molecular weight: 609.71

Ergocristinine

CAS: 511-07-9

Ergocristinine is a secondary metabolite that belongs to the ergoline alkaloid family. It has been …

• Formula: C₃₅H₃₉N₅O₅
• Purity: Min. 95%
• Molecular weight: 609.72 g/mol