| SpectraBase Spectrum ID |
KnahpeEzXN6 |
| Name |
Methyl 6-[2,2-Bis(phenylthio)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 (14S)-16-[2,2-bis(phenylsulfanyl)ethyl]-14-ethyl-2,12-diazatetracyclo[11.3.1.0(2,10).0(3,8)]heptadeca-3,5,7,9-tetraene-12-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H36N2O2S2 |
| InChI |
InChI=1S/C33H36N2O2S2/c1-3-23-20-34(22-32(38-25-13-6-4-7-14-25)39-26-15-8-5-9-16-26)30-19-27(23)28(33(36)37-2)21-35-29-17-11-10-12-24(29)18-31(30)35/h4-18,23,27-28,30,32H,3,19-22H2,1-2H3/t23-,27+,28-,30+/m1/s1 |
| InChIKey |
MACMETYQSPPZKT-MWSQIHEBSA-N |
| Molecular Weight |
556.783 g/mol |
| SMILES |
c12[n](C[C@]([C@@]3([C@@](CN([C@]2(C3)[H])CC(Sc2ccccc2)Sc2ccccc2)(CC)[H])[H])(C(=O)OC)[H])c2c(c1)cccc2 |
| SPLASH |
splash10-004i-0009000000-f6a01af1967f589dc2dc |
| Source of Spectrum |
F-52-8608-16 |
| Wiley ID |
797208 |
![Methyl 6-[2,2-Bis(phenylthio)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/KnahpeEzXN6/structure.png?h=300&w=458 "Methyl 6-[2,2-Bis(phenylthio)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")
