Celastrol

CAS Registry Number®

34157-83-0

CAS Name

Celastrol

Molecular Formula

C29H38O4

Molecular Mass

450.61

Cite this Page

Celastrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34157-83-0 (retrieved 2024-11-22) (CAS RN: 34157-83-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1

InChIKey

InChIKey=KQJSQWZMSAGSHN-JJWQIEBTSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(O)=O)(C)C3)[H])CC[C@]4(C)C2=CC=C5C4=CC(=O)C(O)=C5C

Canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C)C(=C1O)C

Other Names for this Substance

  • 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, (9β,13α,14β,20α)-
  • D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20α)-
  • 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-
  • (9β,13α,14β,20α)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
  • Celastrol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration