| SpectraBase Compound ID | BtOsx8uAwHN |
|---|---|
| InChI | InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,22-23,25-27,29-30,35H,9-11,14-21H2,1-5H3/t23-,25-,26+,27-,29+,30-,33+,34-/m1/s1 |
| InChIKey | AUKHLIGHOOBBFN-MFOFBDDQSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C34H50O3 |
| Exact Mass | 506.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3c3S5RRlJkx |
|---|---|
| Name | 3.beta.-(benzoyloxy)-5.alpha.-cholest-8(14)-en-7.alpha.-ol |
| Alternate Name(s) | (3beta,5alpha,7alpha)-7-hydroxycholest-8(14)-en-3-yl benzoate benzoic acid [(3S,5S,7R,9R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,7R,9R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [(3S,5S,7R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [(3S,5S,7R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate |
| CAS Registry Number | 113274-92-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O3 |
| InChI | InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,22-23,25-27,29-30,35H,9-11,14-21H2,1-5H3/t23-,25-,26+,27-,29+,30-,33+,34-/m1/s1 |
| InChIKey | AUKHLIGHOOBBFN-MFOFBDDQSA-N |
| Molecular Weight | 506.771 g/mol |
| SMILES | O[C@]1(C2=C3[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(CC[C@@]2([C@]2(CC[C@](OC(=O)c3ccccc3)(C[C@@]2(C1)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0a4i-6911000000-71aa623d92163596221b |
| Source of Spectrum | J-53-1719-7 |
| Wiley ID | 1399956 |