Spektraris NMR
(5beta,9alpha,10alpha)-Labda-7,13-diene-15,20-diol 15-acetate
Common Name: (5beta,9alpha,10alpha)-Labda-7,13-diene-15,20-diol 15-acetate
Synonyms: (5beta,9alpha,10alpha)-Labda-7,13-diene-15,20-diol 15-acetate
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-16(11-14-25-17(2)24)7-9-19-18(15-23)8-10-20-21(3,4)12-6-13-22(19,20)5/h8,11,19-20,23H,6-7,9-10,12-15H2,1-5H3/b16-11+/t19-,20-,22+/m1/s1
InChIKey: InChIKey=OSIWGYVBAGGXDY-XWXCYMCXSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Toki, M., Ooi, T., Kusumi, T. J Nat Prod (1999) 62, 1504-9
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) | 38.9 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 32.9 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 125.6 |
| 8 (C) | 139.2 |
| 9 (CH) | 51.4 |
| 10 (C) | 36.6 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 40.9 |
| 13 (C) | 142.6 |
| 14 (CH) | 118.3 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 65.9 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 13.5 |
| 15a (C) | 171 |
| 15b (CH3) | 20.9 |
