| SpectraBase Compound ID | Hv6yWYFwuii |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(2)8-7-15-29(6,31)26-12-11-24-23-10-9-21-18-22(32-20(3)30)13-16-27(21,4)25(23)14-17-28(24,26)5/h9,19,22-26,31H,7-8,10-18H2,1-6H3 |
| InChIKey | NKDUKEIVAPSAJG-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 35s9KMfeHIR |
|---|---|
| Name | Cholest-5-ene-3,20-diol, 3-acetate, (3.beta.,20R)- |
| CAS Registry Number | 7429-99-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(2)8-7-15-29(6,31)26-12-11-24-23-10-9-21-18-22(32-20(3)30)13-16-27(21,4)25(23)14-17-28(24,26)5/h9,19,22-26,31H,7-8,10-18H2,1-6H3 |
| InChIKey | NKDUKEIVAPSAJG-UHFFFAOYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | OC(C1C2(C)C(C3C(CC2)C2(C)C(=CC3)CC(CC2)OC(C)=O)CC1)(CCCC(C)C)C |
| SPLASH | splash10-014i-8934000000-8cf1186a7035449f95a0 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 20-Hydroxycholest-5-en-3-yl acetate Acetic acid [17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methyl-2-oxidanyl-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1386156 |