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Substance Name: Chrysantellin A
RN: 73039-13-1
InChIKey: IBEZGTWSSFFKNB-UHFFFAOYSA-N

Note

  • Saponin from Chrysantnellum procumbens Rich. with triterpene aglycone moiety echinocystic acid.

Molecular Formula

  • C58-H94-O25

Molecular Weight

  • 1191.36
 
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Names and Synonyms

Name of Substance

  • Chrysantellin A

Synonym

  • EINECS 277-245-7

Systematic Names

  • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-16-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-D-xylopyranosyl ester, (3beta,16alpha)-
  • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-16-hydroxy-,O-6-deoxy-alpha-l-mannopyranosyl-(1.3)-O-beta-D-xylopyranosyl-(1. 4)-O-6-deoxy-alpha-l-mannopyranosyl-(1.2)-alpha-D-xylopyranosyl ester, (3beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 73039-13-1

System Generated Number

  • 0073039131

Structure Descriptors

InChI

1S/C58H94O25/c1-23-34(63)37(66)40(69)48(76-23)81-45-28(61)22-74-47(43(45)72)80-44-24(2)77-49(42(71)39(44)68)82-46-35(64)27(60)21-75-51(46)83-52(73)58-17-16-53(3,4)18-26(58)25-10-11-31-55(7)14-13-33(79-50-41(70)38(67)36(65)29(20-59)78-50)54(5,6)30(55)12-15-56(31,8)57(25,9)19-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3

InChIKey

IBEZGTWSSFFKNB-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H](CO[C@@H]([C@@H]1O)O[C@@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1[C@@H](OC[C@@H](O)[C@@H]1O)OC([C@@]12[C@@H](C[C@@]3([C@@]4(CC[C@@H]5C([C@@H](CC[C@@]5([C@@H]4CC=C3[C@@H]1CC(CC2)(C)C)C)O[C@@H]1[C@@H](O)[C@@H]([C@@H]([C@@H](O1)CO)O)O)(C)C)C)C)O)=O)C)O)O)O)O)C