CONODURINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H52N4O5
Molecular Weight	704.8968
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
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(CN2C)=C/C)C5=C6NC7=C(CCN8C[C@@H]9C[C@H](CC)[C@@]8([H])[C@]7(C9)C(=O)OC)C6=CC=C5OC

InChI

InChIKey=QJHYXWBJZHUJGS-ANEMJXHUSA-N

InChI=1S/C43H52N4O5/c1-7-24-17-23-20-43(42(49)52-6)39-28(15-16-47(21-23)40(24)43)27-13-14-34(50-4)36(38(27)45-39)31-18-29-25(8-2)22-46(3)33(35(29)41(48)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h8-14,23-24,29,31,33,35,40,44-45H,7,15-22H2,1-6H3/b25-8-/t23-,24+,29+,31-,33+,35+,40+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H52N4O5
Molecular Weight	704.8968
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:37:19 UTC 2023` Edited by `admin` on `Sat Dec 16 18:37:19 UTC 2023`
Record UNII	GEA6LKA5NH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CONODURINE

Common Name

English

NSC-289066

Code

English

IBOGAMINE-18-CARBOXYLIC ACID, 13-METHOXY-14-((3.ALPHA.)-17-METHOXY-17-OXOVOBASAN-3-YL)-, METHYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50420416