Spektraris NMR
(+)-3β-Acetoxymanool
Common Name: (+)-3β-Acetoxymanool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-8-21(6,24)13-11-17-15(2)9-10-18-20(4,5)19(25-16(3)23)12-14-22(17,18)7/h8,17-19,24H,1-2,9-14H2,3-7H3/t17-,18-,19-,21+,22+/m0/s1
InChIKey: InChIKey=SRDCSTQQSUOKSR-TZWCSUAMSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6
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) | 36.7 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 80.8 |
| 4 (C) | 38 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.8 |
| 10 (C) | 39.4 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 41.2 |
| 13 (C) | 73.6 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 28 |
| 17 (CH2) | 106.9 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 14.5 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
