SpectraBase Compound ID | 8vKM7HEkMcK |
---|---|
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 | SKLBBRQPVZDTNM-SJTWHRLHSA-N |
Mol Weight | 512.9 g/mol |
Molecular Formula | C35H60O2 |
Exact Mass | 512.459331 g/mol |
SpectraBase Spectrum ID | 8NBBprAW1w9 |
---|---|
Name | Cholesteryl caprylate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 125253 |
CAS Registry Number | 1182-42-9 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C35H60O2 |
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 | SKLBBRQPVZDTNM-SJTWHRLHSA-N |
Observed nucleus | 13C |
Purity | 90% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3beta-Hydroxy-5-cholestene 3-octanoate 5-Cholesten-3beta-ol 3-octanoate Cholesteryl n-octanoate Cholesteryl octanoate |
Wiley ID | SIAL_13CNMR_000676 |