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

*Links on SpectraBase are not permalinks.

(6aR,9R,10aR)-6,6-dimethyl-3-[(1r,3r,5r,7r)-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane-6-carbonyl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1,9-diol

View entire compound with spectra: 1 MS (GC)

(6aR,9R,10aR)-6,6-dimethyl-3-[(1r,3r,5r,7r)-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane-6-carbonyl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1,9-diol
SpectraBase Compound ID B0IdK3jvHgg
InChI InChI=1S/C24H31NO5/c1-24(2)19-4-3-15(26)11-18(19)22-20(27)5-12(6-21(22)30-24)23(28)25-13-7-16-9-14(25)10-17(8-13)29-16/h5-6,13-19,26-27H,3-4,7-11H2,1-2H3/t13?,14?,15-,16-,17?,18-,19-/m1/s1
InChIKey IALBTTKONUUVMI-YIHVMYFESA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 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 7046Q8uRBoo
Name (6aR,9R,10aR)-6,6-dimethyl-3-[(1r,3r,5r,7r)-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane-6-carbonyl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1,9-diol
Appearance White glass
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-24(2)19-4-3-15(26)11-18(19)22-20(27)5-12(6-21(22)30-24)23(28)25-13-7-16-9-14(25)10-17(8-13)29-16/h5-6,13-19,26-27H,3-4,7-11H2,1-2H3/t13?,14?,15-,16-,17?,18-,19-/m1/s1
InChIKey IALBTTKONUUVMI-YIHVMYFESA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 413.514 g/mol
Optical Rotation [a]D23 = -92.6o (c = 0.007, MeOH)
SMILES Oc1cc(cc2c1[C@]1([C@@](CC[C@](C1)(O)[H])(C(O2)(C)C)[H])[H])C(=O)N1C2CC3CC1CC(O3)C2
SPLASH splash10-03dj-0524900000-ef1f6f4d8341aabc53b1
Source of Spectrum AF-53-5664-4
Wiley ID 1846181