Spektraris NMR
(4S)-1,6-Dimethyl-4beta-isopropyl-5beta,6alpha,8alpha-trihydroxy-2,3,4,4abeta,5,6,7,8-octahydronaphthalene-2-one
Common Name: (4S)-1,6-Dimethyl-4beta-isopropyl-5beta,6alpha,8alpha-trihydroxy-2,3,4,4abeta,5,6,7,8-octahydronaphthalene-2-one
Synonyms: (4S)-1,6-Dimethyl-4beta-isopropyl-5beta,6alpha,8alpha-trihydroxy-2,3,4,4abeta,5,6,7,8-octahydronaphthalene-2-one
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-7(2)9-5-10(16)8(3)12-11(17)6-15(4,19)14(18)13(9)12/h7,9,11,13-14,17-19H,5-6H2,1-4H3/t9-,11-,13-,14+,15+/m0/s1
InChIKey: InChIKey=ZTXCKJURQSTWKP-RDEFGAFOSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Tamaki, M., Ohtsuki, T., Toume, K., Koyano, T., Kowithayakorn, T., Ishibashi, M. J Nat Prod (2009) 72, 782-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (C) | 157.9 |
| 2 (CH) | 73.1 |
| 3 (CH2) | 49 |
| 4 (C) | 74.1 |
| 5 (CH) | 79 |
| 6 (CH) | 45 |
| 7 (CH) | 40.1 |
| 8 (CH2) | 37.3 |
| 9 (C) | 202.5 |
| 10 (C) | 129.6 |
| 11 (CH) | 31 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 20.9 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 10.4 |
