.BETA.-ERGOCRYPTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H41N5O5
Molecular Weight	575.6984
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C(=O)[C@]([H])([C@@H](C)CC)N3C(=O)[C@](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)(O[C@@]23O)C(C)C

InChI

InChIKey=YYWXOXLDOMRDHW-SDMXVIBFSA-N

InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H41N5O5
Molecular Weight	575.6984
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:30 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:30 GMT 2023`
Record UNII	6ZAY944SI4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ERGOCRYPTINE

Common Name

English

.BETA.-ERGOCRYPTINE [MI]

Common Name

English

.BETA.-ERGOKRYPTINE

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(1-METHYLPROPYL)-, (5'.ALPHA.(S))-

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-5'-((1S)-1-METHYLPROPYL)-, (5'.ALPHA.)-

Common Name

English

Code System Code Type Description

WIKIPEDIA

beta-Ergocryptine