| SpectraBase Compound ID | IawzVsBcXNf |
|---|---|
| InChI | InChI=1S/C32H48O3/c1-22(10-15-30(33)34-4)27-13-14-28-26-12-11-24-20-25(35-21-23-8-6-5-7-9-23)16-18-31(24,2)29(26)17-19-32(27,28)3/h5-9,22,24-29H,10-21H2,1-4H3/t22-,24-,25-,26+,27-,28+,29+,31+,32-/m1/s1 |
| InChIKey | FMGRIQGKDITFSF-CJBTYCAPSA-N |
| Mol Weight | 480.7 g/mol |
| Molecular Formula | C32H48O3 |
| Exact Mass | 480.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5rF1tfuCyt9 |
|---|---|
| Name | Methyl-3.alpha.-benzyloxy-5.beta.cholan-24-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O3 |
| InChI | InChI=1S/C32H48O3/c1-22(10-15-30(33)34-4)27-13-14-28-26-12-11-24-20-25(35-21-23-8-6-5-7-9-23)16-18-31(24,2)29(26)17-19-32(27,28)3/h5-9,22,24-29H,10-21H2,1-4H3/t22-,24-,25-,26+,27-,28+,29+,31+,32-/m1/s1 |
| InChIKey | FMGRIQGKDITFSF-CJBTYCAPSA-N |
| Molecular Weight | 480.733 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OCc2ccccc2)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH | splash10-006x-9127200000-46a80aee790a830b0e73 |
| Source of Spectrum | F-48-145-8 |
| Synonyms | Methyl (3alpha,5beta)-3-(benzyloxy)cholan-24-oate (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-benzyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1395324 |