α-Ecdysone

CAS Registry Number®

3604-87-3

CAS Name

α-Ecdysone

Molecular Formula

C27H44O6

Molecular Mass

464.63

Cite this Page

α-Ecdysone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3604-87-3 (retrieved 2024-11-21) (CAS RN: 3604-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

InChIKey

InChIKey=UPEZCKBFRMILAV-JMZLNJERSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@H]([C@@H](CCC(C)(C)O)O)C)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2β,3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,22,25-pentahydroxy-, (20S,22R)-
  • (2β,3β,5β,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
  • Ecdysone
  • α-Ecdysone

View All

Deleted or Replaced CAS Registry Numbers

5605-38-9, 11006-04-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration