U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C59H96O26
Molecular Weight 1221.3779
Optical Activity UNSPECIFIED
Defined Stereocenters 35 / 35
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pulchinenoside B<SUB>4</SUB>

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=OUHBKBTZUPLIIA-OTEDBJMHSA-N
InChI=1S/C59H96O26/c1-23(2)26-11-16-59(54(75)85-52-45(73)41(69)38(66)30(81-52)21-77-49-46(74)42(70)47(29(19-60)80-49)83-50-43(71)39(67)35(63)24(3)78-50)18-17-57(7)27(34(26)59)9-10-32-55(5)14-13-33(56(6,22-61)31(55)12-15-58(32,57)8)82-53-48(37(65)28(62)20-76-53)84-51-44(72)40(68)36(64)25(4)79-51/h24-53,60-74H,1,9-22H2,2-8H3/t24-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56-,57+,58+,59-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl]-28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl]-3?,23-dihydroxylup-20(29)-en-28-oic acid
Preferred Name English
Pulchinenoside B<SUB>4</SUB>
Common Name English
Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-?-L-mannopyranosyl)-?-L-arabinopyranosyl]oxy]-23-hydroxy-, O-6-deoxy-?-L-mannopyranosyl-(1?4)-O-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl ester, (3?,4?)-
Systematic Name English
Pulchinenoside C
Common Name English
Anemoside B,<SUB>4</SUB>
Common Name English
Chinensioside A
Common Name English
6-Deoxy-?-L-mannopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl 3?-[[2-O-(6-deoxy-?-L-mannopyranosyl)-?-L-arabinopyranosyl]oxy]-23-hydroxylup-20(29)-en-28-oate
Common Name English
Pulsatilla saponin B<SUB>4</SUB>
Common Name English
Code System Code Type Description
CAS
129741-57-7
Created by admin on Wed Apr 02 17:23:41 GMT 2025 , Edited by admin on Wed Apr 02 17:23:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID00856145
Created by admin on Wed Apr 02 17:23:41 GMT 2025 , Edited by admin on Wed Apr 02 17:23:41 GMT 2025
PRIMARY
FDA UNII
JP928BN4LE
Created by admin on Wed Apr 02 17:23:41 GMT 2025 , Edited by admin on Wed Apr 02 17:23:41 GMT 2025
PRIMARY
PUBCHEM
11636713
Created by admin on Wed Apr 02 17:23:41 GMT 2025 , Edited by admin on Wed Apr 02 17:23:41 GMT 2025
PRIMARY