Macelignan

CAS Registry Number®

107534-93-0

CAS Name

Macelignan

Molecular Formula

C20H24O4

Molecular Mass

328.40

Cite this Page

Macelignan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107534-93-0 (retrieved 2024-11-22) (CAS RN: 107534-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    70-72 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1

InChIKey

InChIKey=QDDILOVMGWUNGD-UONOGXRCSA-N

SMILES

C([C@H]([C@H](CC1=CC(OC)=C(O)C=C1)C)C)C=2C=C3C(=CC2)OCO3

Canonical SMILES

OC1=CC=C(C=C1OC)CC(C)C(C)CC2=CC=C3OCOC3=C2

Other Names for this Substance

  • Phenol, 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-
  • Phenol, 4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-, [S-(R*,S*)]-
  • 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • Macelignan
  • Anwulignan

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration