Spektraris NMR
7-Labden-3b,15-diacetate
Common Name: 7-Labden-3b,15-diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/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/h8,12,18-19H,7,9-11,13-14H2,1-6H3/b15-12+/t18-,19-,22+/m0/s1
InChIKey: InChIKey=RYLOMKIOTHVCAT-JFVCQXLXSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Oliva, I.M., Garrido, N.M., Hagget, J., Humphreys, V.M. Phytochemistry (1995) 38, 663-6
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) | 38 |
| 2 (CH2) | 34.5 |
| 3 (C) | 216 |
| 4 (C) | 47.4 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 122.1 |
| 8 (C) | 135.3 |
| 9 (CH) | 53.5 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 41.7 |
| 13 (C) | 142.1 |
| 14 (CH) | 119 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.6 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 25.1 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 13.4 |
| 15a (C) | 171.9 |
| 15b (CH3) | 20.9 |
