3β-Acetoxy-6-nitrocholest-5-ene

CAS Registry Number®

1912-54-5

CAS Name

3β-Acetoxy-6-nitrocholest-5-ene

Molecular Formula

C29H47NO4

Molecular Mass

473.69

Cite this Page

3β-Acetoxy-6-nitrocholest-5-ene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1912-54-5 (retrieved 2024-11-28) (CAS RN: 1912-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28-,29-/m1/s1

InChIKey

InChIKey=HBNDZPJHNAAEAB-XGRWYXQASA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC(N(=O)=O)=C1C[C@@H](OC(C)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=C(N(=O)=O)CC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C

Other Names for this Substance

  • Cholest-5-en-3-ol, 6-nitro-, 3-acetate, (3β)-
  • Cholest-5-en-3β-ol, 6-nitro-, acetate (ester)
  • Cholest-5-en-3-ol, 6-nitro-, acetate (ester), (3β)-
  • Cholest-5-en-3β-ol, 6-nitro-, acetate
  • Cholesterol, 6-nitro-, acetate

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Deleted or Replaced CAS Registry Numbers

23671-18-3

CAS INSIGHTSTM
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