Scilliroside

CAS Registry Number®

507-60-8

CAS Name

Scilliroside

Molecular Formula

C32H44O12

Molecular Mass

620.68

Cite this Page

Scilliroside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=507-60-8 (retrieved 2024-11-22) (CAS RN: 507-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1

InChIKey

InChIKey=LSMIOFMZNVEEBR-ICLSSMQGSA-N

SMILES

O[C@@]12[C@@]3(O)[C@@]([C@]4(C)C([C@H](OC(C)=O)C3)=C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC4)(CC[C@]1(C)[C@H](CC2)C=6C=CC(=O)OC6)[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4(O)CC(OC(=O)C)C5=CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(β-D-glucopyranosyloxy)-8,14-dihydroxy-, (3β,6β)-
  • Scilliroside
  • (3β,6β)-6-(Acetyloxy)-3-(β-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • Silmurin
  • NSC 7523

Deleted or Replaced CAS Registry Numbers

35-98-3, 1329-65-3, 11017-26-8, 28932-86-7

CAS INSIGHTSTM
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