Spektraris NMR
(5beta,9alpha,10alpha)-Labda-7,13-diene-3alpha,15-diol 15-acetate
Common Name: (5beta,9alpha,10alpha)-Labda-7,13-diene-3alpha,15-diol 15-acetate
Synonyms: (5beta,9alpha,10alpha)-Labda-7,13-diene-3alpha,15-diol 15-acetate
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-15(12-14-25-17(3)23)7-9-18-16(2)8-10-19-21(4,5)20(24)11-13-22(18,19)6/h8,12,18-20,24H,7,9-11,13-14H2,1-6H3/b15-12+/t18-,19-,20-,22+/m1/s1
InChIKey: InChIKey=ABMHRZWSHXQICN-HRPCGZKLSA-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) | 37.1 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 122.1 |
| 8 (C) | 134.9 |
| 9 (CH) | 54.1 |
| 10 (C) | 36.5 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 41.8 |
| 13 (C) | 142.5 |
| 14 (CH) | 118.4 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 13.5 |
| 15a (C) | 171 |
| 15b (CH3) | 20.9 |
