Helveticoside

CAS Registry Number®

630-64-8
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CAS Name

Helveticoside

Molecular Formula

C29H42O9

Molecular Mass

534.64

Cite this Page

Helveticoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=630-64-8 (retrieved 2024-05-18) (CAS RN: 630-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1

InChIKey

InChIKey=QBILRDAMJUPXCX-AGAUEGNUSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(O)C[C@@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • Helveticoside
  • Erysimotoxin
  • (3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • Erysimin

View All

Deleted or Replaced CAS Registry Numbers

1399-26-4, 11031-86-0, 30138-71-7, 88195-72-6, 90134-96-6

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