Cholesteryl butyrate
CAS Registry Number®
521-13-1
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CAS Name
Cholesteryl butyrateMolecular Formula
C31H52O2Molecular Mass
456.74Cite this Page
Cholesteryl butyrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=521-13-1 (retrieved ) (CAS RN: 521-13-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
102 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
InChIKey
InChIKey=CKDZWMVGDHGMFR-GTPODGLVSA-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(CCC)=O)CC2)[H])[H]
Canonical SMILES
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCC
Other Names for this Substance
- Cholest-5-en-3-ol (3β)-, 3-butanoate
- Cholesterol, butyrate
- Cholest-5-en-3-ol (3β)-, butanoate
- Butyric acid, cholesteryl ester
- Cholesteryl butyrate
