| SpectraBase Spectrum ID |
6PApZi264AK |
| Name |
(5R)-(1RS)-1-{(Adamantan-1-yl)-5-[(1'R,3a'S,7a'R,E)-7a'-methyl-4'-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-methylene]octahydro-1H-inden-1'-yl]}hex-2-yn-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H51BO3 |
| InChI |
InChI=1S/C33H51BO3/c1-22(9-7-11-29(35)33-18-23-15-24(19-33)17-25(16-23)20-33)27-12-13-28-26(10-8-14-32(27,28)6)21-34-36-30(2,3)31(4,5)37-34/h21-25,27-29,35H,8-10,12-20H2,1-6H3/b26-21+/t22-,23-,24+,25-,27-,28+,29?,32-,33-/m1/s1 |
| InChIKey |
DEBDIADIHAXVPQ-JSYRLPRKSA-N |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/acs.jmedchem.8b00427 |
| Molecular Weight |
506.578 g/mol |
| Reported Formula |
C33H51BO3 |
| SMILES |
OC(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])C#CC[C@@](C)([C@]1(CC[C@@]2([C@@]1(CCC\C2=C\B1OC(C(O1)(C)C)(C)C)C)[H])[H])[H] |
| SPLASH |
splash10-000i-0921000000-d83d0471e60735404b8f |
| Source of Spectrum |
AF-61-6668-8 |
| Thin-Layer Chromatography |
Rf = 0.40 (20% EtOAc/hexanes) |
| Wiley ID |
1871906 |
![(5R)-(1RS)-1-{(Adamantan-1-yl)-5-[(1'R,3a'S,7a'R,E)-7a'-methyl-4'-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-methylene]octahydro-1H-inden-1'-yl]}hex-2-yn-1-ol](/api/spectrum/6PApZi264AK/structure.png?h=300&w=458 "(5R)-(1RS)-1-{(Adamantan-1-yl)-5-[(1'R,3a'S,7a'R,E)-7a'-methyl-4'-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-methylene]octahydro-1H-inden-1'-yl]}hex-2-yn-1-ol")
