Hederacoside C

CAS Registry Number®

14216-03-6
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CAS Name

Hederacoside C

Molecular Formula

C59H96O26

Molecular Mass

1221.38

Cite this Page

Hederacoside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14216-03-6 (retrieved 2024-04-30) (CAS RN: 14216-03-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-228 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=RYHDIBJJJRNDSX-MCGLQMIESA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](CO)(C)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O)[C@@H](O)CO9)CC8)[H])[H])(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OCC(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C(C)(CO)C8CCC7(C)C6(C)CC4

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)-
  • Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-, 1-ester with 3β-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid, β-D-
  • Akebia saponin PK
  • Kizuta saponin K12
  • Hederacoside C

View All

Deleted or Replaced CAS Registry Numbers

27013-76-9, 52038-14-9, 52229-78-4, 56292-18-3, 94021-48-4, 103470-80-0, 104748-89-2, 1002105-94-3, 1407838-40-7

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