3β-Acetoxycholest-5-en-7-one

CAS Registry Number®

809-51-8

CAS Name

3β-Acetoxycholest-5-en-7-one

Molecular Formula

C29H46O3

Molecular Mass

442.67

Cite this Page

3β-Acetoxycholest-5-en-7-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=809-51-8 (retrieved 2024-11-21) (CAS RN: 809-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-158 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1

InChIKey

InChIKey=PMBSWZWCNKVWLV-OLVLZXMISA-N

SMILES

O=C1[C@@]2([C@@]([C@]3(C)C(=C1)C[C@@H](OC(C)=O)CC3)(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC2=CC(=O)C3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C

Other Names for this Substance

  • Cholest-5-en-7-one, 3-(acetyloxy)-, (3β)-
  • Cholest-5-en-7-one, 3β-hydroxy-, acetate
  • (3β)-3-(Acetyloxy)cholest-5-en-7-one
  • 3β-Acetoxycholest-5-en-7-one
  • 3β-Hydroxycholest-5-en-7-one acetate

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Deleted or Replaced CAS Registry Numbers

74015-77-3, 401796-43-8, 594860-29-4, 934020-85-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration