Cerberin

CAS Registry Number®

25633-33-4

CAS Name

Cerberin

Molecular Formula

C32H48O9

Molecular Mass

576.72

Cite this Page

Cerberin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25633-33-4 (retrieved 2024-11-22) (CAS RN: 25633-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-215 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1

InChIKey

InChIKey=UYQMTWMXBKEHJQ-IVHDSYOHSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5[C@@H](OC(C)=O)[C@H](OC)[C@@H](O)[C@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C=6COC(=O)C6)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6OC(=O)C)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
  • Cerberin
  • (3β,5β)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • Neriifolin, 2′-acetate
  • 2′-Acetylneriifolin

Deleted or Replaced CAS Registry Numbers

1401-88-3, 25633-34-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration