| SpectraBase Spectrum ID |
ARkPbSMfvOe |
| Name |
(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-20-Isocyano-7-isothiocyanatoisocycloamphilectane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32N2S |
| InChI |
InChI=1S/C22H32N2S/c1-13-10-15-11-14(2)22(4,23-5)18-7-6-17-20(19(15)18)16(13)8-9-21(17,3)24-12-25/h13-20H,6-11H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20+,21-,22+/m0/s1 |
| InChIKey |
OVOQMOBJDDOIFC-OXEUSEQRSA-N |
| Molecular Weight |
356.572 g/mol |
| SMILES |
[C@]12([C@]3([C@]([N+]#[C-])([C@](C)(C[C@@]2(C[C@@]([C@@]2([C@@]1([C@]([C@](N=C=S)(C)CC2)([H])CC3)[H])[H])(C)[H])[H])[H])C)[H])[H] |
| SPLASH |
splash10-00di-0090000000-fbeb712838ae7c7937ca |
| Source of Spectrum |
J-61-3261-3 |
| Synonyms |
(1R,2R,3aS,5S,5aR,8S,8aS,10aS,10bS,10cS)-1-Isocyano-8-isothiocyanato-1,2,5,8-tetramethyl-hexadecahydro-pyrene
(1S,3aR,3a(1)S,4S,5aS,5a(1)S,8R,10aS)-8-isocyano-1-isothiocyanato-1,4,7,7-tetramethyl-hexadecahydropyrene |
| Wiley ID |
1346093 |
