| SpectraBase Compound ID | F6tVbilQTY6 |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-16(30)17-8-10-26(4)12-13-27(5)18(23(17)26)14-19(31)24-28(27,6)11-9-20-25(2,3)21(32)15-22(33)29(20,24)7/h17-24,31-33H,8-15H2,1-7H3/t17-,18+,19+,20-,21-,22+,23+,24-,26+,27+,28+,29+/m0/s1 |
| InChIKey | CEXMUXAEKDKLDQ-KTBZBUBOSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B8cpYYYHg |
|---|---|
| Name | Nepetidone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-16(30)17-8-10-26(4)12-13-27(5)18(23(17)26)14-19(31)24-28(27,6)11-9-20-25(2,3)21(32)15-22(33)29(20,24)7/h17-24,31-33H,8-15H2,1-7H3/t17-,18+,19+,20-,21-,22+,23+,24-,26+,27+,28+,29+/m0/s1 |
| InChIKey | CEXMUXAEKDKLDQ-KTBZBUBOSA-N |
| Molecular Weight | 460.699 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]3([C@@](CC[C@]2([C@]2([C@]1([C@]1([C@@](C[C@@](C([C@@]1(CC2)[H])(C)C)(O)[H])(O)[H])C)[H])C)C)(CC[C@]3(C(=O)C)[H])C)[H])[H])[H] |
| SPLASH | splash10-0a71-3925000000-f47ac1966c7987750ca7 |
| Source of Spectrum | X2-49-527-1 |
| Synonyms | 1-[(1R,3aR,5aR,5bR,7aS,9S,11R,11aS,11bS,12R,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-9,11,12-tris(oxidanyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone 1-[(1R,3aR,5aR,5bR,7aS,9S,11R,11aS,11bS,12R,13aR,13bS)-9,11,12-trihydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone |
| Wiley ID | 1601955 |