CAS Registry Number®
1182-42-9
CAS Name
Cholesteryl caprylate
Molecular Formula
C35H60O2
Molecular Mass
512.85
Compound Properties
-
Melting Point (1)
106.0 °C
Source(s)
- (1) Swell, Leon; Journal of Biological Chemistry, (1955), 212, 141-50, CAplus
Other Names and Identifiers
InChI
InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKey
InChIKey=SKLBBRQPVZDTNM-SJTWHRLHSA-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(CCCCCCC)=O)CC2)[H])[H]
Canonical SMILES
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCC
Other Names for this Substance
- Cholest-5-en-3-ol (3β)-, 3-octanoate
- Cholesterol, octanoate
- Cholest-5-en-3-ol (3β)-, octanoate
- Cholesteryl caprylate
- Cholesteryl octanoate
- Cholesterol caprylate
- 3β-(Octanoyloxy)cholest-5-ene
- Cholest-5-en-3β-ol caprylate
- 5-Cholesten-3β-ol caprylate
- Caprylic acid cholesterol ester
Deleted or Replaced CAS Registry Numbers
34315-23-6, 900496-95-9
