| SpectraBase Spectrum ID |
1dqfLxYJWsb |
| Name |
(1R,3S,5R,7R)-2-((R)-1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)adamantan-2-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.188194694 u |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-12(4-13-2-3-18-19(10-13)23-11-22-18)20(21)16-6-14-5-15(8-16)9-17(20)7-14/h2-3,10,12,14-17,21H,4-9,11H2,1H3/t12-,14-,15+,16-,17+,20-/m1/s1 |
| InChIKey |
TUADRJHTFVUBDG-CQQVFXFCSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Optical Rotation |
[a]D20 = +28.9 (c = 1.54, CHCl3) |
| Quality |
171 |
| Reported Formula |
C20H26O3 |
| SMILES |
OC1([C@@](CC=2C=CC3=C(C2)OCO3)(C)[H])[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| SPLASH |
splash10-0f7t-2890000000-3addf787fa6ea2f45fef |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-62-SM51-(R)-4d (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908207 |
![(1R,3S,5R,7R)-2-((R)-1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)adamantan-2-ol](/api/spectrum/1dqfLxYJWsb/structure.png?h=300&w=458 "(1R,3S,5R,7R)-2-((R)-1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)adamantan-2-ol")
