Spektraris NMR
(13E)-8-Hydroxylabda-13-ene-15-oic acid methyl ester
Common Name: (13E)-8-Hydroxylabda-13-ene-15-oic acid methyl ester
Synonyms: (13E)-8-Hydroxylabda-13-ene-15-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1
InChIKey: InChIKey=BNYWADFAGBPZJB-VJOMLYSMSA-N
Formula: C21H36O3
Molecular Weight: 336.509536
Exact Mass: 336.266445
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Bastard, J., Duc, D.K., Fetizon, M., Francis, M.J., Grant, P.K., Weavers, R.T., Kaneko, C., Baddeley, G.V., Bernassau, J.M., Burfitt, I.R., Wovkulich, P.M., Wenkert, E. J Nat Prod (1984) 47, 592-9
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) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.4 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 44.4 |
| 8 (C) | 74.1 |
| 9 (CH) | 61.5 |
| 10 (C) | 39.3 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 44.8 |
| 13 (C) | 161.3 |
| 14 (CH) | 114.8 |
| 15 (C) | 167.3 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 24 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15.5 |
| 15a (CH3) | 51.1 |
