(3β)-Solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

CAS Registry Number®

472-51-5
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CAS Name

(3β)-Solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Molecular Formula

C39H63NO10

Molecular Mass

705.92

Cite this Page

(3β)-Solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=472-51-5 (retrieved 2024-09-19) (CAS RN: 472-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    255 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

InChIKey

InChIKey=ZLSYCIYRYZUJCZ-MTXMLOAPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC4)[H])[H])(C[C@]7([C@@]2([C@H](C)[C@@]8(N7C[C@@H](C)CC8)[H])[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6N7CC(C)CCC7C(C)C65)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β)-solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • β1-Chaconine
  • β-Chaconine
  • β-Chaconin
  • Solanidane, β-D-glucopyranoside deriv.

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