Spektraris NMR
( + )-3β,13-Diacetoxymanool
Common Name: ( + )-3β,13-Diacetoxymanool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O4/c1-9-23(7,28-18(4)26)14-12-19-16(2)10-11-20-22(5,6)21(27-17(3)25)13-15-24(19,20)8/h9,19-21H,1-2,10-15H2,3-8H3/t19-,20-,21-,23+,24+/m0/s1
InChIKey: InChIKey=ARSUJKMOPFZNDI-QRADPCAZSA-N
Formula: C24H38O4
Molecular Weight: 390.55703
Exact Mass: 390.27701
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) | 36.6 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 80.7 |
| 4 (C) | 38 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 38 |
| 8 (C) | 147.7 |
| 9 (CH) | 56.8 |
| 10 (C) | 39.3 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 39.2 |
| 13 (C) | 83.3 |
| 14 (CH) | 141.9 |
| 15 (CH2) | 113.8 |
| 16 (CH3) | 23.5 |
| 17 (CH2) | 107 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 14.5 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
| 13a (C) | 169.9 |
| 13b (CH3) | 22.2 |
