| SpectraBase Spectrum ID |
2xzp1LHgIK |
| Name |
tert-Butyl (1R*,4aS*,7R*,9aR*)-1-hydroxy-5-methyl-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epimino-benzo[7]annulene-10-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-10-8-11-9-13(20)14-12(19)6-5-7-17(10,14)18(11)15(21)22-16(2,3)4/h8,11-12,14,19H,5-7,9H2,1-4H3/t11-,12+,14+,17+/m0/s1 |
| InChIKey |
UVTKAQJQPPOVQB-HSTIPLNKSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Quality |
118 |
| Reported Formula |
C17H25NO4 |
| SMILES |
O[C@@]1(CCC[C@@]23[C@]1(C(C[C@](C=C3C)(N2C(=O)OC(C)(C)C)[H])=O)[H])[H] |
| SPLASH |
splash10-0a4l-3930000000-2b6c74081986bdb73d5e |
| Source of Spectrum |
ACI-57-SM70-3k (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.35 (EtOAc/hexane, 20%) |
| Wiley ID |
1890712 |
![tert-Butyl (1R*,4aS*,7R*,9aR*)-1-hydroxy-5-methyl-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epimino-benzo[7]annulene-10-carboxylate](/api/spectrum/2xzp1LHgIK/structure.png?h=300&w=458 "tert-Butyl (1R*,4aS*,7R*,9aR*)-1-hydroxy-5-methyl-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epimino-benzo[7]annulene-10-carboxylate")
