Saikosaponin C

CAS Registry Number®

20736-08-7
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CAS Name

Saikosaponin C

Molecular Formula

C48H78O17

Molecular Mass

927.12

Cite this Page

Saikosaponin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20736-08-7 (retrieved 2024-08-22) (CAS RN: 20736-08-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    310-314 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C48H78O17/c1-22-30(51)32(53)36(57)40(61-22)65-38-24(20-59-39-35(56)33(54)31(52)23(19-49)62-39)63-41(37(58)34(38)55)64-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-60-48)28(50)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25-,26+,27?,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45+,46-,47+,48-/m0/s1

InChIKey

InChIKey=VJEMOEYSQDKAQF-VNPZMJFTSA-N

SMILES

C[C@]12[C@@]3(C4([C@@](CO3)([C@@H](O)C1)CCC(C)(C)C4)[H])C=C[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)[C@H](O)[C@H]7O)C6(C)C)[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)C)C(O)C(O)C2OC9OC(C)C(O)C(O)C9O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,16β)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-
  • Saikosaponin C
  • Oleanane, β-D-glucopyranoside deriv.
  • (3β,16β)-13,28-Epoxy-16-hydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside
  • Cyclosaponin C