Spektraris NMR
(1R,4aalpha)-1beta-[(3S)-3-Acetoxybutyl]-2alpha-acetoxy-2,5,5,8abeta-tetramethyldecahydronaphthalene
![(1R,4aalpha)-1beta-[(3S)-3-Acetoxybutyl]-2alpha-acetoxy-2,5,5,8abeta-tetramethyldecahydronaphthalene](/nmr/static/nmr/svg/15379.svg)
Common Name: (1R,4aalpha)-1beta-[(3S)-3-Acetoxybutyl]-2alpha-acetoxy-2,5,5,8abeta-tetramethyldecahydronaphthalene
Synonyms: (1R,4aalpha)-1beta-[(3S)-3-Acetoxybutyl]-2alpha-acetoxy-2,5,5,8abeta-tetramethyldecahydronaphthalene
CAS Registry Number:
InChI: InChI=1S/C22H38O4/c1-15(25-16(2)23)9-10-19-21(6)13-8-12-20(4,5)18(21)11-14-22(19,7)26-17(3)24/h15,18-19H,8-14H2,1-7H3/t15-,18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=WZIAHYCPUQXKFS-CVFFNHBXSA-N
Formula: C22H38O4
Molecular Weight: 366.535558
Exact Mass: 366.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Basabe, P., Bodero, O., Marcos, I.S., Diez, D., Roman, M.d., Bianco, A., Urones, J.G. Tetrahedron (2007) 63, 11838-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.3 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 20 |
| 7 (CH2) | 41.9 |
| 8 (C) | 87.6 |
| 9 (CH) | 58.7 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 39 |
| 13 (CH) | 71.3 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15.7 |
| 8a (C) | 169.8 |
| 8b (CH3) | 21.5 |
| 13a (C) | 170.3 |
| 13b (CH3) | 21.5 |
