Cholesteryl p-nitrobenzoate

CAS Registry Number®

23838-12-2
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CAS Name

Cholesteryl p-nitrobenzoate

Molecular Formula

C34H49NO4

Molecular Mass

535.76

Cite this Page

Cholesteryl p-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23838-12-2 (retrieved 2024-09-21) (CAS RN: 23838-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChIKey

InChIKey=MCSXGHLTXBACQB-AESKLMAPSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(=O)C5=CC=C(N(=O)=O)C=C5)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C5=CC=C(C=C5)N(=O)=O

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(4-nitrobenzoate)
  • Cholesterol, p-nitrobenzoate
  • Cholest-5-en-3-ol (3β)-, 4-nitrobenzoate
  • Cholesteryl p-nitrobenzoate
  • p-Nitrobenzoylcholesterol

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