β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl 6-O-β-D-galactopyranosyl-

CAS Registry Number®

166736-13-6

CAS Name

β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl 6-O-β-D-galactopyranosyl-

Molecular Formula

C39H64O12

Molecular Mass

724.92

Cite this Page

β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl 6-O-β-D-galactopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=166736-13-6 (retrieved 2024-11-05) (CAS RN: 166736-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H64O12/c1-18-8-13-39(47-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-34(45)32(43)30(41)27(50-36)17-46-35-33(44)31(42)29(40)20(3)48-35/h18-36,40-45H,6-17H2,1-5H3/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=HXATWZQZOVMWCQ-ZQDGIMECSA-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]6O[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O7)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@H](C)CO8)[H])[H]

Canonical SMILES

OC1C(OCC2OC(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)C(O)C(O)C2O)OC(C)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl 6-O-β-D-galactopyranosyl-
  • Smilanippin A

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles