Madecassoside

CAS Registry Number®

34540-22-2
No image available.

CAS Name

Madecassoside

Molecular Formula

C48H78O20

Molecular Mass

975.12

Cite this Page

Madecassoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34540-22-2 (retrieved 2024-04-20) (CAS RN: 34540-22-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-223 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48+/m1/s1

InChIKey

InChIKey=BNMGUJRJUUDLHW-HCZMHFOYSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@]([C@H](O)C7)([C@@](CO)(C)[C@@H](O)[C@H](O)C8)[H])[H])([C@@H](C)[C@H](C)CC5)[H]

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CCC(C)C(C)C5C6=CCC7C8(C)CC(O)C(O)C(C)(CO)C8C(O)CC7(C)C6(C)CC4

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (2α,3β,4α,6β)-
  • Madecassoside
  • Asiaticoside A
  • Redermic

Deleted or Replaced CAS Registry Numbers

17669-86-2, 20089-87-6

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