5-?-Methoxyaspidophylline, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O5
Molecular Weight	398.4522
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-?-Methoxyaspidophylline, (+)-

Structure Search

SMILES

CO[C@@H]1C[C@]23[C@@H]([C@H]4C[C@H](N(C\C4=C\C)C=O)[C@]2(NC5=C3C=CC=C5)O1)C(=O)OC

InChI

InChIKey=KLIYCBUSDMXREG-XALDAAHSSA-N

InChI=1S/C22H26N2O5/c1-4-13-11-24(12-25)17-9-14(13)19(20(26)28-3)21-10-18(27-2)29-22(17,21)23-16-8-6-5-7-15(16)21/h4-8,12,14,17-19,23H,9-11H2,1-3H3/b13-4-/t14-,17-,18-,19-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O5
Molecular Weight	398.4522
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:02:44 GMT 2025` Edited by `admin` on `Wed Apr 02 21:02:44 GMT 2025`
Record UNII	4256YR9RGM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl (1R,9R,13E,15R,17S)-13-ethylidene-11-formyl-17-methoxy-18-oxa-8,11-diazapentacyclo[7.6.3.1¹?,¹?.0¹,?.0²,?]nonadeca-2,4,6-triene-15-carboxylate

Preferred Name

English

5-?-Methoxyaspidophylline, (+)-

Common Name

English

Code System Code Type Description

CAS

2699641-18-2

Created by admin on Wed Apr 02 21:02:44 GMT 2025 , Edited by admin on Wed Apr 02 21:02:44 GMT 2025

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FDA UNII

4256YR9RGM

Created by admin on Wed Apr 02 21:02:44 GMT 2025 , Edited by admin on Wed Apr 02 21:02:44 GMT 2025

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