Neriifolin

CAS Registry Number®

466-07-9
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CAS Name

Neriifolin

Molecular Formula

C30H46O8

Molecular Mass

534.68

Cite this Page

Neriifolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=466-07-9 (retrieved 2024-04-29) (CAS RN: 466-07-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1

InChIKey

InChIKey=VPUNMTHWNSJUOG-BAOINKAISA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C6=CC(=O)OC6)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
  • Neriifolin
  • (3β,5β)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • NSC 123976
  • 17β-Neriifolin

Deleted or Replaced CAS Registry Numbers

47795-81-3, 52443-19-3, 73068-93-6, 319449-22-4

CAS INSIGHTSTM
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