7-Dehydrocholesterol benzoate

CAS Registry Number®

1182-06-5
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CAS Name

7-Dehydrocholesterol benzoate

Molecular Formula

C34H48O2

Molecular Mass

488.74

Cite this Page

7-Dehydrocholesterol benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1182-06-5 (retrieved 2024-04-28) (CAS RN: 1182-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1

InChIKey

InChIKey=IHOQNBAZWVTKFK-BVBBTSNESA-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=CC=C5)CC2)[H]

Canonical SMILES

O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)CC1)C=5C=CC=CC5

Other Names for this Substance

  • Cholesta-5,7-dien-3-ol, benzoate, (3β)-
  • Cholesta-5,7-dien-3β-ol, benzoate
  • 7-Dehydrocholesterol benzoate
  • 7-Dehydrocholesteryl benzoate
  • Δ5,7-Cholesteryl benzoate

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