Avenestergenin A 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H55NO7
Molecular Weight	637.8458
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC=CC=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](O)C[C@]4(C)[C@@H]([C@@H]3C[C@@]2(C)C=O)C(=O)C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]45C

InChI

InChIKey=DESUBBPDSFNHTF-LRPINCQGSA-N

InChI=1S/C38H55NO7/c1-33(20-40)17-23-31-25(42)16-27-34(2)14-13-28(43)36(4,21-41)26(34)12-15-37(27,5)38(31,6)18-29(44)35(23,3)19-30(33)46-32(45)22-10-8-9-11-24(22)39-7/h8-11,20,23,26-31,39,41,43-44H,12-19,21H2,1-7H3/t23-,26+,27+,28-,29-,30-,31-,33-,34-,35-,36-,37+,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H55NO7
Molecular Weight	637.8458
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:46:32 GMT 2025` Edited by `admin` on `Wed Apr 02 18:46:32 GMT 2025`
Record UNII	APL6DB2ZET
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Avenestergenin A 1

Common Name

English

(3?,4?,16?,20?,21?)-3,16,23-Trihydroxy-21-[[2-(methylamino)benzoyl]oxy]-12-oxooleanan-29-al

Preferred Name

English

Oleanan-29-al, 3,16,23-trihydroxy-21-[[2-(methylamino)benzoyl]oxy]-12-oxo-, (3?,4?,16?,20?,21?)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21636446

Created by admin on Wed Apr 02 18:46:32 GMT 2025 , Edited by admin on Wed Apr 02 18:46:32 GMT 2025

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EPA CompTox

DTXSID201116325

Created by admin on Wed Apr 02 18:46:32 GMT 2025 , Edited by admin on Wed Apr 02 18:46:32 GMT 2025

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FDA UNII

APL6DB2ZET

Created by admin on Wed Apr 02 18:46:32 GMT 2025 , Edited by admin on Wed Apr 02 18:46:32 GMT 2025

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CAS

90578-35-1

Created by admin on Wed Apr 02 18:46:32 GMT 2025 , Edited by admin on Wed Apr 02 18:46:32 GMT 2025

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