Melilotoside A2

CAS Registry Number®

99541-89-6

CAS Name

Melilotoside A2

Molecular Formula

C36H58O9

Molecular Mass

634.84

Cite this Page

Melilotoside A2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99541-89-6 (retrieved 2024-11-22) (CAS RN: 99541-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-179 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1

InChIKey

InChIKey=NARQRJFIZNOSJV-JIHAXZPOSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@H](O)CC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@](CO)(C)[C@@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(O)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22,23-dihydroxyolean-12-en-3-yl
  • (3β,4β,22β)-22,23-Dihydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid
  • 3-O-(β-D-Glucuronopyranosyl)-soyasapogenol B
  • Melilotoside A2

Deleted or Replaced CAS Registry Numbers

189220-78-8, 2185007-53-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration