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Substance Name: Kalopanaxsaponin B
RN: 14216-03-6
UNII: 2608B2L1BQ
InChIKey: RYHDIBJJJRNDSX-MCGLQMIESA-N

Note

  • Isolated from Kalopanax septemlobus.

Molecular Formula

  • C59-H96-O26

Molecular Weight

  • 1221.3814
 
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Names and Synonyms

Results Name

  • Kalopanaxsaponin B

Name of Substance

  • Kalopanax saponin B

Synonyms

  • Akebia saponin PK
  • Akeboside Sth
  • EINECS 238-072-2
  • Glycoside L-H2
  • Hederacoside C
  • Hederoside H1
  • Pericarsaponin Pk
  • Pulsatilla saponin F
  • Tauroside H2
  • Tauroside St-H2
  • UNII-2608B2L1BQ

Systematic Names

  • Olean-12-en-28-oic acid, 3- ((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta,4alpha)-
  • Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-alpha-l-mannopyranosyl)-alpha-l-arabinopyranosyl)oxy)-23-hydroxy-, O-6-deoxy-alpha-l-mannopyranosyl-(1.4)-O-beta-d-glucopyranosyl-(1.6)-beta-d-glucopyranosyl ester, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 14216-03-6

FDA UNII

  • 2608B2L1BQ

Other Registry Numbers

  • 103470-80-0
  • 104748-89-2
  • 52038-14-9
  • 52229-78-4
  • 94021-48-4

System Generated Number

  • 0014216036

Structure Descriptors

InChI

1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,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-,55-,56-,57+,58+,59-/m0/s1

InChIKey

RYHDIBJJJRNDSX-MCGLQMIESA-N

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@]45CCC(C)(C)C[C@H]4C6=CC[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@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O