β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-

CAS Registry Number®

60267-26-7

CAS Name

β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-

Molecular Formula

C50H82O22

Molecular Mass

1035.17

Cite this Page

β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60267-26-7 (retrieved 2024-11-25) (CAS RN: 60267-26-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,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-,46-,47+,48-,49-,50+/m0/s1

InChIKey

InChIKey=JGMVGSROWHLFSW-QDHKAWJGSA-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](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](O)[C@H]8O)[C@@H](CO)O6)CC5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@H](C)CO%10)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC(CO)C2OC9OC(CO)C(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
  • Spirostan, β-D-glucopyranoside deriv.
  • Asparagoside F
  • Asparoside F

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