CONODURININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H50N4O6
Molecular Weight	706.8696
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](C[C@]([H])([C@@H]1C(=O)OC)\C(CN2)=C/C)C5=C6NC7=C(CCN8C[C@@H]9C[C@]([H])([C@H](C)O)[C@@]8([H])[C@]7(C9)C(=O)OC)C6=CC=C5OC

InChI

InChIKey=KUKSIEBJIJDXNW-SGDKAWQFSA-N

InChI=1S/C42H50N4O6/c1-6-23-19-43-32-17-29-24-9-7-8-10-31(24)44-36(29)30(16-28(23)34(32)40(48)51-4)35-33(50-3)12-11-25-26-13-14-46-20-22-15-27(21(2)47)39(46)42(18-22,41(49)52-5)38(26)45-37(25)35/h6-12,21-22,27-28,30,32,34,39,43-45,47H,13-20H2,1-5H3/b23-6-/t21-,22+,27+,28-,30+,32-,34-,39-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H50N4O6
Molecular Weight	706.8696
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:05:51 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:51 GMT 2023`
Record UNII	9RVD5KZX3W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CONODURININE

Common Name

English

IBOGAMINE-18-CARBOXYLIC ACID, 14-((2S,5E,6R,8R,14S)-5-ETHYLIDENE-2,3,4,5,6,7,8,9-OCTAHYDRO-14-(METHOXYCARBONYL)-2,6-METHANO-1H-AZECINO(5,4-B)INDOL-8-YL)-20-HYDROXY-13-METHOXY-, METHYL ESTER, (20S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9RVD5KZX3W

Created by admin on Sat Dec 16 19:05:51 GMT 2023 , Edited by admin on Sat Dec 16 19:05:51 GMT 2023

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PUBCHEM

156028110

Created by admin on Sat Dec 16 19:05:51 GMT 2023 , Edited by admin on Sat Dec 16 19:05:51 GMT 2023

PRIMARY

CAS

603066-10-0

Created by admin on Sat Dec 16 19:05:51 GMT 2023 , Edited by admin on Sat Dec 16 19:05:51 GMT 2023

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