Mezerein

CAS Registry Number®

34807-41-5

CAS Name

Mezerein

Molecular Formula

C38H38O10

Molecular Mass

654.70

Cite this Page

Mezerein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34807-41-5 (retrieved 2024-11-22) (CAS RN: 34807-41-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    256-258 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1

InChIKey

InChIKey=DLEDLHFNQDHEOJ-UDTOXTEMSA-N

SMILES

C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)([C@@H]1OC(/C=C/C=C/C5=CC=CC=C5)=O)O[C@](O2)(O4)C6=CC=CC=C6)[H])([C@]7([C@](CO)(O7)[C@@H](O)[C@@]8(O)[C@]3(C=C(C)C8=O)[H])[H])[H]

Canonical SMILES

O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=CC=CC=8C=CC=CC8

Other Names for this Substance

  • 2,4-Pentadienoic acid, 5-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester, (2E,4E)-
  • Daphnetoxin, 12-[(1-oxo-5-phenyl-2,4-pentadienyl)oxy]-, [12β(2E,4E)]-
  • Meserein
  • Mezerein
  • 2,4-Pentadienoic acid, 5-phenyl-, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester, [2S-[2α,3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bα,9α,10β(2E,4E),10aβ]]-

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Deleted or Replaced CAS Registry Numbers

30220-44-1, 32207-09-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration