| SpectraBase Compound ID | KyiUnyKSx5 |
|---|---|
| InChI | InChI=1S/C24H36O3S/c1-17-12-13-21-23(3,4)14-9-15-24(21,5)22(17)20(16-18(2)25)28(26,27)19-10-7-6-8-11-19/h6-8,10-12,18,20-22,25H,9,13-16H2,1-5H3/t18-,20-,21+,22-,24+/m1/s1 |
| InChIKey | ORMVOZBDUGAFAI-YVTYUBGGSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C24H36O3S |
| Exact Mass | 404.238516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JFPWpjwk0BJ |
|---|---|
| Name | (13R)-11.alpha.-benzenesulfonyl-14,15-dinor-labd-7-en-13-ol |
| CAS Registry Number | 123123-53-5 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O3S |
| InChI | InChI=1S/C24H36O3S/c1-17-12-13-21-23(3,4)14-9-15-24(21,5)22(17)20(16-18(2)25)28(26,27)19-10-7-6-8-11-19/h6-8,10-12,18,20-22,25H,9,13-16H2,1-5H3/t18-,20-,21+,22-,24+/m1/s1 |
| InChIKey | ORMVOZBDUGAFAI-YVTYUBGGSA-N |
| Molecular Weight | 404.609 g/mol |
| SMILES | O[C@@](C[C@@](S(=O)(=O)c1ccccc1)([C@@]1([C@@]2([C@@](C(C)(C)CCC2)([H])CC=C1C)C)[H])[H])(C)[H] |
| SPLASH | splash10-0002-0090000000-eb3aa499612e829dc8f6 |
| Source of Spectrum | F-44-6335-34 |
| Synonyms | ent-(13S)-11.alpha.-benzenesulfonyl-13,14-seco-15,16-dinor-pimar-7-en-13-ol 1-Naphthalenepropanol, 1,4,4a,5,6,7,8,8a-octahydro-.alpha.,2,5,5,8a-pentamethyl-.gamma.-(phenylsulfonyl)-, [1S-[1.alpha.(.alpha.S*,.gamma.S*),4a.beta.,8a.alpha.]]- (2R,4R)-4-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-4-(phenylsulfonyl)-2-butanol rac-(13S)-11.alpha.-benzenesulfonyl-8,13-epoxy-8,14-seco-15,16-dinor-pimarane |
| Wiley ID | 1371426 |