α-Solanine

CAS Registry Number®

20562-02-1
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CAS Name

α-Solanine

Molecular Formula

C45H73NO15

Molecular Mass

868.06

Cite this Page

α-Solanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=20562-02-1 (retrieved 2024-06-21) (CAS RN: 20562-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1

InChIKey

InChIKey=ZGVSETXHNHBTRK-UDJLNJFBSA-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]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])(N9[C@@]([C@H]3C)(CC[C@H](C)C9)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(OC3CC4=CCC5C(CCC6(C)C5CC7N8CC(C)CCC8C(C)C76)C4(C)CC3)C2OC9OC(C)C(O)C(O)C9O)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β)-solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-
  • α-Solanine
  • Solanidane, β-D-galactopyranoside deriv.
  • 1H-Naphth[2′,1′:4,5]indeno[1,2-b]indolizine, β-D-galactopyranoside deriv.
  • (3β)-Solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside

Deleted or Replaced CAS Registry Numbers

125-97-3, 11017-45-1, 32242-09-4, 73681-48-8

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