Spektraris NMR
Methyl labda-7,12(E),14-triene-17-oate
Common Name: Methyl labda-7,12(E),14-triene-17-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(19(22)23-6)10-12-18-20(3,4)13-8-14-21(17,18)5/h7,9-10,17-18H,1,8,11-14H2,2-6H3/b15-9+/t17-,18-,21+/m0/s1
InChIKey: InChIKey=CTBUCQNTSSOSEL-IWDLQZDVSA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran, S., Petsom, A., Sommit, D., Vilaivan, T. Phytochemistry (1999) 50, 449-53
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) | 39.9 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 137 |
| 8 (C) | 134.5 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 26.2 |
| 12 (CH) | 133.6 |
| 13 (C) | 133.1 |
| 14 (CH) | 141.7 |
| 15 (CH2) | 110 |
| 16 (CH3) | 11.7 |
| 17 (C) | 169.5 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.5 |
| 17a (CH3) | 51.3 |
