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Substance Name: Cynapanoside C
RN: 109985-24-2
InChIKey: YJPCNVBYONYHPR-BXJACIRRSA-N

Note

  • Glycoside from Chinese crude drug xu-chang qing, Cynanchum paniculatum.

Molecular Formula

  • C41-H60-O16

Molecular Weight

  • 808.909
 
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Names and Synonyms

Name of Substance

  • Cynapanoside B
  • Cynapanoside C

Systematic Name

  • 6H-2,3,5-Trioxapentaleno(1',6':5,6,7)cyclonona(1,2-a)naphthalen-4,6(2aH)-dione, 10-((O-2,6-dideoxy-3-O-methyl-alpha-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hxopyranosyl)oxy)-4a,6a,7,9,10,11,12,12a,12b,13,14,14b-dodecahydro-7-hydroxy-2a,12a-dimethyl-, (2aR-(2aR*,4aS*,6aR*,7S*,10S*,12aR*,12bS*,14bR*))-

Registry Numbers

CAS Registry Number

  • 109985-24-2

System Generated Number

  • 0109985242

Structure Descriptors

InChI

1S/C41H60O16/c1-18-34(44)27(47-6)15-31(50-18)54-35-19(2)51-29(14-26(35)43)55-36-20(3)52-30(16-28(36)48-7)53-23-10-11-40(4)22(12-23)13-25(42)32-24(40)9-8-21-17-49-41(5)33(21)37(39(46)57-41)56-38(32)45/h13,17-20,23-37,42-44H,8-12,14-16H2,1-7H3/t18-,19-,20-,23+,24?,25+,26+,27-,28-,29+,30+,31-,32?,33-,34-,35-,36-,37+,40+,41+/m1/s1

InChIKey

YJPCNVBYONYHPR-BXJACIRRSA-N

Smiles

CO[C@@H]1C[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](C)O[C@H](C[C@H]3OC)O[C@H]4CC[C@]5(C)C6CCC7=CO[C@@]8(C)OC(=O)[C@@H](OC(=O)C6[C@@H](O)C=C5C4)[C@@H]78)O[C@@H]2C)O[C@H](C)[C@H]1O