Cholesta-1,4,6-trien-3-one

CAS Registry Number®

3464-60-6

CAS Name

Cholesta-1,4,6-trien-3-one

Molecular Formula

C27H40O

Molecular Mass

380.61

Cite this Page

Cholesta-1,4,6-trien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3464-60-6 (retrieved 2024-11-21) (CAS RN: 3464-60-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    0 °C @ Press: 20 Torr

  • Melting Point (2)

    82-83 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=NIJCHQWGAFQPFT-GYKMGIIDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

O=C1C=CC2(C(C=CC3C2CCC4(C)C3CCC4C(C)CCCC(C)C)=C1)C

Other Names for this Substance

  • Cholesta-1,4,6-trien-3-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration