For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
SpectraBase Compound ID Hhw5uoBMXDp
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
Mol Weight 503.7 g/mol
Molecular Formula C30H37NO4Si
Exact Mass 503.249185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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