SpectraBase Spectrum ID |
JpjIgjtNqd2 |
Name |
(9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-(hydroxymethyl)-1,5-dithiaspiro[5.5]undecan-9-ol |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H30O2S2 |
InChI |
InChI=1S/C18H30O2S2/c1-14(2)6-4-7-15(3)16-12-18(21-10-5-11-22-18)9-8-17(16,20)13-19/h6-7,16,19-20H,4-5,8-13H2,1-3H3/t16-,17+/m1/s1 |
InChIKey |
RYTDGSGFPPOCKM-SJORKVTESA-N |
Instrument Name |
LRMS |
Ionization Type |
EI |
Molecular Weight |
342.556 g/mol |
Optical Rotation |
[a]D23 = +5.7 (c = 1.0, CH2Cl2) |
Reported Formula |
C18H28O2S2 |
SMILES |
O[C@@]1(CO)[C@](CC2(CC1)SCCCS2)(C(=CCC=C(C)C)C)[H] |
SPLASH |
splash10-006t-0964000000-74dd25ea896508958096 |
Source of Spectrum |
US8299067B2 |
Thin-Layer Chromatography |
Rf = 0.58 (silica gel, hexanes/EtOAc, 1:1) |
Wiley ID |
1846848 |