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Substance Name: Kalopanaxsaponin H
RN: 128730-82-5
InChIKey: AMXYFWUYMQOLRN-VSLJUTLUSA-N

Note

  • Isolated from Kalopanax pictus.

Molecular Formula

  • C47-H76-O17

Molecular Weight

  • 913.1004
 
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Names and Synonyms

Name of Substance

  • Kalopanaxsaponin H

Synonym

  • Kalopanaxsaponin H

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 128730-82-5

System Generated Number

  • 0128730825

Structure Descriptors

InChI

1S/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35+,36+,37?,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1

InChIKey

AMXYFWUYMQOLRN-VSLJUTLUSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O