| SpectraBase Compound ID | IgzWVCydD4s |
|---|---|
| InChI | InChI=1S/C49H75BrO4/c1-30(39-13-15-41-37-11-9-33-28-35(53-32(3)51)18-23-46(33,4)43(37)20-25-48(39,41)6)8-17-45(52)54-36-19-24-47(5)34(29-36)10-12-38-42-16-14-40(31(2)22-27-50)49(42,7)26-21-44(38)47/h9-10,30-31,35-44H,8,11-29H2,1-7H3/t30-,31-,35+,36+,37?,38?,39?,40?,41+,42+,43?,44?,46+,47+,48-,49-/m1/s1 |
| InChIKey | BBQJEHOVIIJPCK-RNJJPXKJSA-N |
| Mol Weight | 808.0 g/mol |
| Molecular Formula | C49H75BrO4 |
| Exact Mass | 806.484874 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9itMLZpg6S |
|---|---|
| Name | 3-(3'-Aceoxy-5'-cholen-23'-ylcarbonyloxy)-24-bromo-23-nor-5-cholene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H75BrO4 |
| InChI | InChI=1S/C49H75BrO4/c1-30(39-13-15-41-37-11-9-33-28-35(53-32(3)51)18-23-46(33,4)43(37)20-25-48(39,41)6)8-17-45(52)54-36-19-24-47(5)34(29-36)10-12-38-42-16-14-40(31(2)22-27-50)49(42,7)26-21-44(38)47/h9-10,30-31,35-44H,8,11-29H2,1-7H3/t30-,31-,35+,36+,37?,38?,39?,40?,41+,42+,43?,44?,46+,47+,48-,49-/m1/s1 |
| InChIKey | BBQJEHOVIIJPCK-RNJJPXKJSA-N |
| Molecular Weight | 808.039 g/mol |
| SMILES | [C@@]12([C@](C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)CC[C@](C2[C@@]3([C@@](C5CC=C6[C@@](C5CC3)(CC[C@](OC(=O)C)(C6)[H])C)([H])CC2)C)(C)[H])(C4)[H])C)(CCC1[C@@](CCBr)(C)[H])[H])C |
| SPLASH | splash10-052g-0239000000-770f28e3f8f13cd7cabd |
| Source of Spectrum | OV-1-293-7 |
| Wiley ID | 1547574 |