| SpectraBase Spectrum ID |
LhwjcXE9Rsw |
| Name |
(1R*,3S*,4R*,7S*,8S*,12R*13R*)-12-hydroxy-7-isothiocyanatoamphilect-11(20),14-diene |
| Alternate Name(s) |
(1S,3R,3aR,6aS,7S,9aR,9bR)-7-isothiocyanato-1,7-dimethyl-4-methylidene-3-(2-methylprop-1-enyl)-1,2,3,5,6,6a,8,9,9a,9b-decahydrophenalen-3a-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31NOS |
| InChI |
InChI=1S/C21H31NOS/c1-13(2)10-16-11-14(3)17-8-9-20(5,22-12-24)18-7-6-15(4)21(16,23)19(17)18/h10,14,16-19,23H,4,6-9,11H2,1-3,5H3/t14-,16-,17+,18-,19+,20-,21+/m0/s1 |
| InChIKey |
DLCCUDJOTKFLKO-GUVFGCBPSA-N |
| Molecular Weight |
345.545 g/mol |
| SMILES |
O[C@@]12[C@]3([C@]([C@](N=C=S)(C)CC[C@]3([H])[C@](C[C@@]1(C=C(C)C)[H])(C)[H])([H])CCC2=C)[H] |
| SPLASH |
splash10-00xs-0193000000-71c1e75ac6848296ba0f |
| Source of Spectrum |
J-61-3261-14 |
| Wiley ID |
1338155 |
