(3β,5β,25S)-Spirostan-3-yl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

60267-23-4
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CAS Name

(3β,5β,25S)-Spirostan-3-yl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C39H64O13

Molecular Mass

740.92

Cite this Page

(3β,5β,25S)-Spirostan-3-yl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60267-23-4 (retrieved 2024-09-19) (CAS RN: 60267-23-4).  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)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)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=ZJCKMLSMXPLTKX-MMHJLWSYSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC(CO)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl 3-O-β-D-glucopyranosyl-
  • (3β,5β,25S)-Spirostan-3-yl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Asparagoside C