Solamargine

CAS Registry Number®

20311-51-7

CAS Name

Solamargine

Molecular Formula

C45H73NO15

Molecular Mass

868.06

Cite this Page

Solamargine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20311-51-7 (retrieved 2024-11-22) (CAS RN: 20311-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    301 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/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-/m1/s1

InChIKey

InChIKey=MBWUSSKCCUMJHO-ZGXDEBHDSA-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](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O6)CC5)[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CN9)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(NCC(C)CC7)C(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,22α,25R)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
  • Solamargine
  • (3β,22α,25R)-Spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
  • δ-Solanigrine
  • Solamargin

View All

Deleted or Replaced CAS Registry Numbers

1361-25-7, 22683-38-1, 28633-35-4, 30375-08-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration