Castasterone

CAS Registry Number®

80736-41-0

CAS Name

Castasterone

Molecular Formula

C28H48O5

Molecular Mass

464.68

Cite this Page

Castasterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80736-41-0 (retrieved 2024-11-22) (CAS RN: 80736-41-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-260 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1

InChIKey

InChIKey=VYUIKSFYFRVQLF-YLNAYWRASA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)(CC4)[H])[H])(CC(=O)[C@]1(C[C@H](O)[C@H](O)C2)[H])[H])[H]

Canonical SMILES

O=C1CC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Ergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-
  • (2α,3α,5α,22R,23R,24S)-2,3,22,23-Tetrahydroxyergostan-6-one
  • Castasterone
  • BP 214

CAS INSIGHTSTM
Targeted protein degrader structure, illustration