| SpectraBase Compound ID | 6oakOtRBoZ2 |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-20(2)8-7-9-21(3)27-12-13-28-26-11-10-24-18-25(35-23(5)33)14-17-31(24,19-34-22(4)32)29(26)15-16-30(27,28)6/h10,20-21,25-29H,7-9,11-19H2,1-6H3 |
| InChIKey | NTMHQIHKQZCZCX-UHFFFAOYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LPfId4aHxiE |
|---|---|
| Name | Cholest-5-ene-3,19-diol, diacetate, (3.beta.)- |
| CAS Registry Number | 21072-68-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-20(2)8-7-9-21(3)27-12-13-28-26-11-10-24-18-25(35-23(5)33)14-17-31(24,19-34-22(4)32)29(26)15-16-30(27,28)6/h10,20-21,25-29H,7-9,11-19H2,1-6H3 |
| InChIKey | NTMHQIHKQZCZCX-UHFFFAOYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | C(OC(C)=O)C12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC=C2CC(CC1)OC(C)=O |
| SPLASH | splash10-0gb9-0179000000-678eec314b70b5725096 |
| Source of Spectrum | T-68-5685-0 |
| Synonyms | 19-(Acetyloxy)cholest-5-en-3-yl acetate Cholest-5-ene-3.beta.,19-diol, diacetate [3-acetoxy-17-(1,5-dimethylhexyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate [3-acetyloxy-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate [3-acetyloxy-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ethanoate Acetic acid [3-acetyloxy-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester |
| Wiley ID | 1396564 |