Spektraris NMR
3beta,5beta-Dihydroxyambrox
Common Name: 3beta,5beta-Dihydroxyambrox
Synonyms: 3beta,5beta-Dihydroxyambrox
CAS Registry Number:
InChI: InChI=1S/C16H28O3/c1-14(2)12(18)5-7-15(3)11-6-8-19-16(11,4)9-10(17)13(14)15/h10-13,17-18H,5-9H2,1-4H3/t10-,11-,12+,13+,15-,16-/m1/s1
InChIKey: InChIKey=HPWIQVUWCVVCFJ-VDXKCRADSA-N
Formula: C16H28O3
Molecular Weight: 268.39233
Exact Mass: 268.203845
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Hanson, J.R., Truneh, A. Phytochemistry (1996) 42, 1021-3
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) | 39.7 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 57.1 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 47.3 |
| 8 (C) | 79.6 |
| 9 (CH) | 60.4 |
| 10 (C) | 35.9 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 64.3 |
| 17 (CH3) | 21.5 |
| 18 (CH3) | 27.1 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 15.9 |
