.BETA.-ERGOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37N5O5
Molecular Weight	547.6453
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]2(O)[C@@H]7CCCN7C1=O

InChI

InChIKey=KJILSMAJKRVRFV-RBBOJWASSA-N

InChI=1S/C30H37N5O5/c1-5-16(2)25-27(37)34-11-7-10-23(34)30(39)35(25)28(38)29(3,40-30)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18/h6,8-9,12,14,16,18,22-23,25,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t16-,18+,22+,23-,25-,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H37N5O5
Molecular Weight	547.6453
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 `Tue Apr 01 16:27:54 GMT 2025` Edited by `admin` on `Tue Apr 01 16:27:54 GMT 2025`
Record UNII	RP84B07RAB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ERGOSINE

Common Name

English

ERGOSINE, BETA-

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

RP84B07RAB

Created by admin on Tue Apr 01 16:27:54 GMT 2025 , Edited by admin on Tue Apr 01 16:27:54 GMT 2025

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PUBCHEM

101690444

Created by admin on Tue Apr 01 16:27:54 GMT 2025 , Edited by admin on Tue Apr 01 16:27:54 GMT 2025

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EPA CompTox

DTXSID50975613

Created by admin on Tue Apr 01 16:27:54 GMT 2025 , Edited by admin on Tue Apr 01 16:27:54 GMT 2025

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CAS

60192-59-8

Created by admin on Tue Apr 01 16:27:54 GMT 2025 , Edited by admin on Tue Apr 01 16:27:54 GMT 2025

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