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

[H][C@@]12C[C@@](C)(C=O)[C@H](C[C@]1(C)[C@@H](O)C[C@]3(C)[C@]2([H])C(=O)C[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@]5([H])CC[C@@]34C)OC(=O)C6=C(NC)C=CC=C6

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

Approval Year

Name

Type

Language

Avenestergenin A 1

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

21636446

Created by admin on Sat Dec 16 20:17:20 GMT 2023 , Edited by admin on Sat Dec 16 20:17:20 GMT 2023

PRIMARY

FDA UNII

APL6DB2ZET

Created by admin on Sat Dec 16 20:17:20 GMT 2023 , Edited by admin on Sat Dec 16 20:17:20 GMT 2023

PRIMARY

CAS

90578-35-1

Created by admin on Sat Dec 16 20:17:20 GMT 2023 , Edited by admin on Sat Dec 16 20:17:20 GMT 2023

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SUBSTANCE RECORD


					APL6DB2ZET

Avenestergenin A 1