3β-Acetoxy-6-nitrocholest-5-ene
CAS Registry Number®
1912-54-5
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CAS Name
3β-Acetoxy-6-nitrocholest-5-eneMolecular Formula
C29H47NO4Molecular Mass
473.69Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
23671-18-3
