| SpectraBase Spectrum ID |
3ccAldA2HQ |
| Name |
Methyl (4aS,5R,7R)-5-((tert-butyldiphenylsiloxy)methyl)-9-oxo-2,3,4,5,6,7,8,9-octahydro-4a,7-epimino-benzo[7]annulene-1-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.249185206 u |
| Formula |
C30H37NO4Si |
| InChI |
InChI=1S/C30H37NO4Si/c1-29(2,3)36(23-12-7-5-8-13-23,24-14-9-6-10-15-24)35-20-21-18-22-19-26(32)27-25(28(33)34-4)16-11-17-30(21,27)31-22/h5-10,12-15,21-22,31H,11,16-20H2,1-4H3/t21-,22+,30-/m0/s1 |
| InChIKey |
UDFSWTOITZCDPT-ZQLNOWDWSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Molecular Weight |
503.714 g/mol |
| Optical Rotation |
[a]D22.8 = -86.7 (c = 3.44, DCM) |
| Reported Formula |
C30H37NO4Si |
| SMILES |
N1[C@]23CCCC(=C2C(C[C@]1(C[C@]3(CO[Si](C(C)(C)C)(C=1C=CC=CC1)C=1C=CC=CC1)[H])[H])=O)C(OC)=O |
| SPLASH |
splash10-01ot-0000900000-71d299eceb95e05b8c6e |
| Source of Spectrum |
ACI-57-SM88-(-)-19 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.16 (acetone/hexane, 15%), 0.14 (EtOAc/hexane, 50%) |
| Wiley ID |
1890645 |
![Methyl (4aS,5R,7R)-5-((tert-butyldiphenylsiloxy)methyl)-9-oxo-2,3,4,5,6,7,8,9-octahydro-4a,7-epimino-benzo[7]annulene-1-carboxylate](/api/spectrum/3ccAldA2HQ/structure.png?h=300&w=458 "Methyl (4aS,5R,7R)-5-((tert-butyldiphenylsiloxy)methyl)-9-oxo-2,3,4,5,6,7,8,9-octahydro-4a,7-epimino-benzo[7]annulene-1-carboxylate")
