Timosaponin B II

CAS Registry Number®

136656-07-0

CAS Name

Timosaponin B II

Molecular Formula

C45H76O19

Molecular Mass

921.07

Cite this Page

Timosaponin B II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136656-07-0 (retrieved 2024-11-25) (CAS RN: 136656-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45+/m0/s1

InChIKey

InChIKey=SORUXVRKWOHYEO-UJDJZYEZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H](O)[C@@H](CO)O5)CC4)[H])[H])[H])(C[C@]7([C@@]2([C@H](C)[C@](CC[C@@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)(O)O7)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5β,22α,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-
  • Furostan, β-D-galactopyranoside deriv.
  • 1H-Naphth[2′,1′:4,5]indeno[2,1-b]furan, β-D-galactopyranoside deriv.
  • (3β,5β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Prototimosaponin A III

View All

Deleted or Replaced CAS Registry Numbers

148218-00-2

CAS INSIGHTSTM
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