| SpectraBase Spectrum ID |
KKraRxJg7di |
| Name |
Methyl 6-[2,2-Bis(methylthio)ethyl]-4.beta.-ethyl-2,3,4,5,6,7-hexahydro-1H-3,7-methano[1,4]diazonino[1,2-a]indole-2.alpha.-carboxylate |
| Alternate Name(s) |
methyl (1S,12S,13S,14S)-16-[2,2-bis(methylsulfanyl)ethyl]-14-ethyl-10,16-diazatetracyclo[11.3.1.0(2,10).0(4,9)]heptadeca-2,4,6,8-tetraene-12-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H32N2O2S2 |
| InChI |
InChI=1S/C23H32N2O2S2/c1-5-15-12-24(14-22(28-3)29-4)20-11-17(15)18(23(26)27-2)13-25-19-9-7-6-8-16(19)10-21(20)25/h6-10,15,17-18,20,22H,5,11-14H2,1-4H3/t15-,17+,18-,20+/m1/s1 |
| InChIKey |
RTVKKSWLXBYLFZ-QEEHTWDDSA-N |
| Molecular Weight |
432.641 g/mol |
| SMILES |
c12[n](C[C@]([C@@]3([C@@](CN([C@]2(C3)[H])CC(SC)SC)(CC)[H])[H])(C(=O)OC)[H])c2c(c1)cccc2 |
| SPLASH |
splash10-004i-0009000000-389b42afa166c7c1aefe |
| Source of Spectrum |
F-52-8608-11 |
| Wiley ID |
797209 |
![Methyl 6-[2,2-Bis(methylthio)ethyl]-4.beta.-ethyl-2,3,4,5,6,7-hexahydro-1H-3,7-methano[1,4]diazonino[1,2-a]indole-2.alpha.-carboxylate](/api/spectrum/KKraRxJg7di/structure.png?h=300&w=458 "Methyl 6-[2,2-Bis(methylthio)ethyl]-4.beta.-ethyl-2,3,4,5,6,7-hexahydro-1H-3,7-methano[1,4]diazonino[1,2-a]indole-2.alpha.-carboxylate")
