SPECIOCILIATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N2O4
Molecular Weight	398.4953
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC

InChI

InChIKey=LELBFTMXCIIKKX-MYLQJJOTSA-N

InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N2O4
Molecular Weight	398.4953
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:46:25 GMT 2025` Edited by `admin` on `Wed Apr 02 09:46:25 GMT 2025`
Record UNII	M3NN8Z8ZJW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPECIOCILIATIN

Common Name

English

SPECIOCILIATINE

Preferred Name

English

17,18-SECO-3.BETA.,20.ALPHA.-YOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-9,17-DIMETHOXY-, METHYL ESTER, (E)-

Systematic Name

English

INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

M3NN8Z8ZJW

Created by admin on Wed Apr 02 09:46:25 GMT 2025 , Edited by admin on Wed Apr 02 09:46:25 GMT 2025

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PUBCHEM

15560576

Created by admin on Wed Apr 02 09:46:25 GMT 2025 , Edited by admin on Wed Apr 02 09:46:25 GMT 2025

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CAS

14382-79-7

Created by admin on Wed Apr 02 09:46:25 GMT 2025 , Edited by admin on Wed Apr 02 09:46:25 GMT 2025

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EPA CompTox

DTXSID50574160

Created by admin on Wed Apr 02 09:46:25 GMT 2025 , Edited by admin on Wed Apr 02 09:46:25 GMT 2025

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