9,10-DIHYDROERGOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H39N5O5
Molecular Weight	549.6612
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@@H]3C[C@H]4[C@@H](CC5=CNC6=C5C4=CC=C6)N(C)C3)O[C@@]2(O)[C@@H]7CCCN7C1=O

InChI

InChIKey=XWMMZDZUHSYSPU-ZADNKJPOSA-N

InChI=1S/C30H39N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36)/t18-,20-,22-,23+,24+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H39N5O5
Molecular Weight	549.6612
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 `Mon Mar 31 19:25:42 GMT 2025` Edited by `admin` on `Mon Mar 31 19:25:42 GMT 2025`
Record UNII	5V68W0Y9VC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9,10-DIHYDROERGOSINE

Common Name

English

9,10-DIHYDRO-.ALPHA.-ERGOSINE

Preferred Name

English

DIHYDROERGOSINE

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-12'-HYDROXY-2'-METHYL-5'-(2-METHYLPROPYL)-, (5'.ALPHA.,10.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

7288-61-1

Created by admin on Mon Mar 31 19:25:42 GMT 2025 , Edited by admin on Mon Mar 31 19:25:42 GMT 2025

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EPA CompTox

DTXSID00993665

Created by admin on Mon Mar 31 19:25:42 GMT 2025 , Edited by admin on Mon Mar 31 19:25:42 GMT 2025

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FDA UNII

5V68W0Y9VC

Created by admin on Mon Mar 31 19:25:42 GMT 2025 , Edited by admin on Mon Mar 31 19:25:42 GMT 2025

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PUBCHEM

3057230

Created by admin on Mon Mar 31 19:25:42 GMT 2025 , Edited by admin on Mon Mar 31 19:25:42 GMT 2025

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