| SpectraBase Spectrum ID |
5ceL76V1rS0 |
| Name |
(3S,4S,5S)-4-Ethynyl-2,6-dimethyl-5-[N-(2,4,6-trimethylphenylsulfonyl)amono]heptan-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H31NO3S |
| InChI |
InChI=1S/C20H31NO3S/c1-9-17(19(22)13(4)5)18(12(2)3)21-25(23,24)20-15(7)10-14(6)11-16(20)8/h1,10-13,17-19,21-22H,2-8H3/t17-,18-,19-/m0/s1 |
| InChIKey |
ZBXUCYAPYLPWMU-FHWLQOOXSA-N |
| Molecular Weight |
365.532 g/mol |
| SMILES |
N(S(c1c(cc(cc1C)C)C)(=O)=O)[C@]([C@@]([C@](C(C)C)(O)[H])(C#C)[H])(C(C)C)[H] |
| SPLASH |
splash10-0udi-0090000000-6ef882a7e0dea3ff1aef |
| Source of Spectrum |
J-66-1874-22 |
| Wiley ID |
1534822 |
![(3S,4S,5S)-4-Ethynyl-2,6-dimethyl-5-[N-(2,4,6-trimethylphenylsulfonyl)amono]heptan-3-ol](/api/spectrum/5ceL76V1rS0/structure.png?h=300&w=458 "(3S,4S,5S)-4-Ethynyl-2,6-dimethyl-5-[N-(2,4,6-trimethylphenylsulfonyl)amono]heptan-3-ol")
