(3β,5α,25R)-Spirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

CAS Registry Number®

110124-76-0

CAS Name

(3β,5α,25R)-Spirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

Molecular Formula

C39H64O13

Molecular Mass

740.92

Cite this Page

(3β,5α,25R)-Spirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110124-76-0 (retrieved 2024-11-25) (CAS RN: 110124-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/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-/m1/s1

InChIKey

InChIKey=GUSVHVVOABZHAH-WDIHZTOYSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](CC5)(C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])[H])CC[C@@H](C)CO2

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC2CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-β-D-glucopyranosyl-
  • (3β,5α,25R)-Spirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Capsicoside B2
  • Atroposide C
  • TTS 9

CAS INSIGHTSTM
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