| SpectraBase Spectrum ID |
6rzuu40i9c8 |
| Name |
3-(7-Isocyano-1,1-dimethylheptyl)-6-methyl-6-(3-hydroxypropynyl)-9-oxo-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H35NO4S |
| InChI |
InChI=1S/C27H35NO4S/c1-26(2,11-6-4-5-7-13-28-18-33)19-15-23(31)25-21-17-20(30)9-10-22(21)27(3,12-8-14-29)32-24(25)16-19/h15-16,21-22,29,31H,4-7,9-11,13-14,17H2,1-3H3/t21-,22?,27+/m1/s1 |
| InChIKey |
QJEUSHKHBBANQF-YPBQFBTBSA-N |
| Molecular Weight |
469.640 g/mol |
| SMILES |
Oc1c2c(O[C@@](C#CCO)(C3[C@]2(CC(CC3)=O)[H])C)cc(c1)C(CCCCCCN=C=S)(C)C |
| SPLASH |
splash10-014j-9900000000-d954e4bf69730ee55ba9 |
| Source of Spectrum |
J-68-61-16 |
| Wiley ID |
1536199 |
![3-(7-Isocyano-1,1-dimethylheptyl)-6-methyl-6-(3-hydroxypropynyl)-9-oxo-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol](/api/spectrum/6rzuu40i9c8/structure.png?h=300&w=458 "3-(7-Isocyano-1,1-dimethylheptyl)-6-methyl-6-(3-hydroxypropynyl)-9-oxo-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol")
