α-Chaconine

CAS Registry Number®

20562-03-2
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CAS Name

α-Chaconine

Molecular Formula

C45H73NO14

Molecular Mass

852.06

Cite this Page

α-Chaconine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20562-03-2 (retrieved 2024-04-19) (CAS RN: 20562-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,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=TYNQWWGVEGFKRU-AJDPQWBVSA-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]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](CO)O5)CC4)[H])[H])(C[C@]8([C@@]2([C@H](C)[C@@]9(N8C[C@@H](C)CC9)[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)C1OC9OC(C)C(O)C(O)C9O

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

1192476-64-4

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