Timosaponin A III

CAS Registry Number®

41059-79-4
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CAS Name

Timosaponin A III

Molecular Formula

C39H64O13

Molecular Mass

740.92

Cite this Page

Timosaponin A III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41059-79-4 (retrieved 2024-08-13) (CAS RN: 41059-79-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    317-322 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1

InChIKey

InChIKey=MMTWXUQMLQGAPC-YXOKLLKRSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@H](C)CO8)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5β,25S)-spirostan-3-yl 2-O-β-D-glucopyranosyl-
  • Timosaponin A III
  • (3β,5β,25S)-Spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Timosaponine A III
  • Filiferin B

View All

Deleted or Replaced CAS Registry Numbers

11032-27-2, 139077-63-7, 2981466-21-9