F-Gitonin

CAS Registry Number®

28591-01-7

CAS Name

F-Gitonin

Molecular Formula

C50H82O23

Molecular Mass

1051.17

Cite this Page

F-Gitonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28591-01-7 (retrieved 2024-11-23) (CAS RN: 28591-01-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-255 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,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+,45-,46+,47+,48+,49+,50-/m1/s1

InChIKey

InChIKey=AULWDENWMBJIIQ-KHXIKGBRSA-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)[C@H](O)C5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@@H](C)CO%10)[H])[H]

Canonical SMILES

OCC1OC(OC2C(OC(CO)C(O)C2OC3OCC(O)C(O)C3O)OC4C(O)C(O)C(OC5CC6CCC7C(CCC8(C)C7CC9OC%10(OCC(C)CC%10)C(C)C98)C6(C)CC5O)OC4CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (2α,3β,5α,25R)-2-hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
  • F-Gitonin
  • Spirostan, β-D-galactopyranoside deriv.
  • (2α,3β,5α,25R)-2-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Gitogenin β-lycotetraoside

View All

Deleted or Replaced CAS Registry Numbers

1399-47-9, 4058-44-0, 441017-91-0

CAS INSIGHTSTM
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