8'-HYDROXY-DIHYDROERGOCRISTINE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C35H41N5O6
Molecular Weight	627.7299
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8'-HYDROXY-DIHYDROERGOCRISTINE

Structure Search

SMILES

CC(C)[C@@]5(NC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=C3C2=CC=C4)N(C)C1)O[C@@]6(O)[C@@H]7CCC(O)N7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O

InChI

InChIKey=QORNDGVFMWOSBU-IWYULNNPSA-N

InChI=1S/C35H41N5O6/c1-19(2)34(37-31(42)22-15-24-23-10-7-11-25-30(23)21(17-36-25)16-26(24)38(3)18-22)33(44)40-27(14-20-8-5-4-6-9-20)32(43)39-28(12-13-29(39)41)35(40,45)46-34/h4-11,17,19,22,24,26-29,36,41,45H,12-16,18H2,1-3H3,(H,37,42)/t22-,24-,26-,27+,28+,29?,34-,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H41N5O6
Molecular Weight	627.7299
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:03:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:43 GMT 2025`
Record UNII	P4G0O1T30U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8'-OH-DHEC

Preferred Name

English

8'-HYDROXY-DIHYDROERGOCRISTINE

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-8',12'-DIHYDROXY-2'-(1-METHYLETHYL)-5'-(PHENYLMETHYL)-, (5'.ALPHA.,10.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

883718-08-9

Created by admin on Mon Mar 31 23:03:43 GMT 2025 , Edited by admin on Mon Mar 31 23:03:43 GMT 2025

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PUBCHEM

91800137

Created by admin on Mon Mar 31 23:03:43 GMT 2025 , Edited by admin on Mon Mar 31 23:03:43 GMT 2025

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FDA UNII

P4G0O1T30U

Created by admin on Mon Mar 31 23:03:43 GMT 2025 , Edited by admin on Mon Mar 31 23:03:43 GMT 2025

PRIMARY

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