TQL-1055

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H95NO20
Molecular Weight	1138.3803
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCC(O)=O)[C@@H](CO)O[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C5=CC[C@]6([H])[C@@]7(C)CC[C@H](O)[C@@](C)(C=O)[C@]7([H])CC[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=CTNVWGJRCZGKAW-AMUHCMMCSA-N

InChI=1S/C59H95NO20/c1-31-48(78-50-46(72)43(69)34(63)29-75-50)45(71)47(73)51(76-31)79-49-44(70)42(60-40(66)16-14-12-10-8-9-11-13-15-17-41(67)68)35(28-61)77-52(49)80-53(74)59-25-24-54(2,3)26-33(59)32-18-19-37-55(4)22-21-38(64)56(5,30-62)36(55)20-23-57(37,6)58(32,7)27-39(59)65/h18,30-31,33-39,42-52,61,63-65,69-73H,8-17,19-29H2,1-7H3,(H,60,66)(H,67,68)/t31-,33-,34+,35+,36+,37+,38-,39+,42-,43-,44-,45-,46+,47+,48-,49+,50-,51-,52-,55-,56-,57+,58+,59+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TQL-1055

Code

English

O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-4-[(11-carboxy-1-oxoundecyl)amino]-4-deoxy-β-D-galactopyranosyl (3β,4α,16α)-3,16-dihydroxy-23-oxoolean-12-en-28-oate

Systematic Name

English

Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-4-[(11-carboxy-1-oxoundecyl)amino]-4-deoxy-β-D-galactopyranosyl ester, (3β,4α,16α)-

Systematic Name

English

Code System Code Type Description

FDA UNII

S3V4K4WP47

Created by admin on Sat Dec 16 19:12:46 GMT 2023 , Edited by admin on Sat Dec 16 19:12:46 GMT 2023

PRIMARY

PUBCHEM

167713257

Created by admin on Sat Dec 16 19:12:46 GMT 2023 , Edited by admin on Sat Dec 16 19:12:46 GMT 2023

PRIMARY

CAS

2095876-40-5

Created by admin on Sat Dec 16 19:12:46 GMT 2023 , Edited by admin on Sat Dec 16 19:12:46 GMT 2023

PRIMARY

ACTIVE MOIETY


					S3V4K4WP47

TQL-1055