β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl O-β-D-xylopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-

CAS Registry Number®

125456-09-9

CAS Name

β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl O-β-D-xylopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-

Molecular Formula

C44H72O17

Molecular Mass

873.03

Cite this Page

β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl O-β-D-xylopyranosyl-(1→3)-O-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=125456-09-9 (retrieved 2024-11-13) (CAS RN: 125456-09-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,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-/m1/s1

InChIKey

InChIKey=FZHRIKWBCQRSRD-SDWYFHANSA-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](O[C@H]7[C@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]

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(OC9OCC(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl O-β-D-xylopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-
  • Spirostan, β-D-galactopyranoside deriv.
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-galactopyranoside deriv.
  • Capsicoside C2

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