| SpectraBase Compound ID | 7VYQiT1GcpK |
|---|---|
| InChI | InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21+,22?,23-,24+,25?,28-,29-/m1/s1 |
| InChIKey | GFTWFYLFSOGAEP-ADFIQQOESA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C29H48O5 |
| Exact Mass | 476.350175 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 | GuigUywbxBT |
|---|---|
| Name | 3.beta.-Acetoxy-5-oxo-5,6-secocholestan-6-oic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O5 |
| InChI | InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21+,22?,23-,24+,25?,28-,29-/m1/s1 |
| InChIKey | GFTWFYLFSOGAEP-ADFIQQOESA-N |
| Molecular Weight | 476.698 g/mol |
| SMILES | OC(CC1[C@]2([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC1[C@@]1(C(C[C@](CC1)(OC(=O)C)[H])=O)C)C)[H])=O |
| SPLASH | splash10-0229-0009600000-2165350f79b4f7f83ec6 |
| Source of Spectrum | KC-1992-1738-11 |
| Synonyms | {(1R,3aS,7aR)-5-[(1R,4S)-4-(acetyloxy)-1-methyl-2-oxocyclohexyl]-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-4-yl}acetic acid 2-[(1R,3aS,7aR)-5-[(1R,4S)-4-acetyloxy-1-methyl-2-oxocyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid 2-[(1R,3aS,7aR)-5-[(1R,4S)-4-acetoxy-1-methyl-2-oxo-cyclohexyl]-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid 2-[(1R,3aS,7aR)-5-[(1R,4S)-4-acetyloxy-1-methyl-2-oxidanylidene-cyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanoic acid |
| Wiley ID | 776429 |