SU-11279

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40N2O7
Molecular Weight	516.6264
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCO[C@H]1C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OCCOC

InChI

InChIKey=NQUDLUAGLLEHKU-YAKHQJDZSA-N

InChI=1S/C28H40N2O7/c1-32-9-11-36-24-13-17-16-30-8-7-20-19-6-5-18(34-3)14-22(19)29-26(20)23(30)15-21(17)25(27(24)35-4)28(31)37-12-10-33-2/h5-6,14,17,21,23-25,27,29H,7-13,15-16H2,1-4H3/t17-,21+,23+,24+,25+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40N2O7
Molecular Weight	516.6264
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:48:35 GMT 2025` Edited by `admin` on `Tue Apr 01 22:48:35 GMT 2025`
Record UNII	C19B3ORF93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

18-EPI-3-ISORESERPIC ACID, O-(2-METHOXYETHYL)-, 2-METHOXYETHYL ESTER

Preferred Name

English

SU-11279

Code

English

YOHIMBAN-16-CARBOXYLIC ACID, 11,17-DIMETHOXY-18-(2-METHOXYETHOXY)-, 2-METHOXYETHYL ESTER, (16.BETA.,17.ALPHA.,18.ALPHA.,20.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082936

Created by admin on Tue Apr 01 22:48:35 GMT 2025 , Edited by admin on Tue Apr 01 22:48:35 GMT 2025

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CAS

6022-43-1

Created by admin on Tue Apr 01 22:48:35 GMT 2025 , Edited by admin on Tue Apr 01 22:48:35 GMT 2025

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FDA UNII

C19B3ORF93

Created by admin on Tue Apr 01 22:48:35 GMT 2025 , Edited by admin on Tue Apr 01 22:48:35 GMT 2025

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