Spektraris NMR
(1aS,2R,4aS,5R,7aR,7bS)-5-Hydroxy-3,3,5,7b-tetramethyldecahydro-1H-cyclopropa[e]azulen-2-yl 3,5-dinitrobenzoate
![(1aS,2R,4aS,5R,7aR,7bS)-5-Hydroxy-3,3,5,7b-tetramethyldecahydro-1H-cyclopropa[e]azulen-2-yl 3,5-dinitrobenzoate](/nmr/static/nmr/svg/14369.svg)
Common Name: (1aS,2R,4aS,5R,7aR,7bS)-5-Hydroxy-3,3,5,7b-tetramethyldecahydro-1H-cyclopropa[e]azulen-2-yl 3,5-dinitrobenzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28N2O7/c1-20(2)10-16-15(5-6-22(16,4)26)21(3)11-17(21)18(20)31-19(25)12-7-13(23(27)28)9-14(8-12)24(29)30/h7-9,15-18,26H,5-6,10-11H2,1-4H3/t15-,16+,17-,18-,21+,22-/m1/s1
InChIKey: InChIKey=MWHWKBGSBYCHGS-FMRFCHHCSA-N
Formula: C22H28N2O7
Molecular Weight: 432.467852
Exact Mass: 432.189651
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - McMorris, T.C., Lira, R., Gantzel, P.K., Kelner, M.J., Dawe, R. J Nat Prod (2000) 63, 1557-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Africananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 41.8 |
| 2 (CH) | 48 |
| 3 (C) | 80.9 |
| 4 (CH2) | 41.5 |
| 5 (CH2) | 23.1 |
| 6 (CH) | 49.2 |
| 7 (C) | 19.3 |
| 8 (CH2) | 23.2 |
| 9 (CH) | 26.7 |
| 10 (CH) | 85.7 |
| 11 (C) | 37.9 |
| 12 (CH3) | 20.4 |
| 13 (CH3) | 28.6 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 25.6 |
| 10a (C) | 161.7 |
| 10b (C) | 134.6 |
| 10c (CH) | 122.1 |
| 10d (C) | 148.6 |
| 10e (CH) | 129.4 |
| 10f (C) | 148.6 |
| 10g (CH) | 122.1 |
