Spektraris NMR
3b-Acetoxy-ent-labd-8(17)-en-15-oic acid
Common Name: 3b-Acetoxy-ent-labd-8(17)-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O4/c1-15(14-21(25)26-7)8-10-18-16(2)9-11-19-22(4,5)20(27-17(3)24)12-13-23(18,19)6/h15,18-20H,2,8-14H2,1,3-7H3/t15?,18-,19-,20+,23+/m1/s1
InChIKey: InChIKey=XARCQNWTNDNTRK-QMQYRIRUSA-N
Formula: C23H38O4
Molecular Weight: 378.546294
Exact Mass: 378.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Faini, F., Labbe, C., Torres, R., Delle Monache, F., Delle Monache, G. Phytochemistry (1999) 52, 1547-50
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) | 24.3 |
| 3 (CH) | 80.8 |
| 4 (C) | 39.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 38 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 35.8 |
| 13 (CH) | 31.1 |
| 14 (CH2) | 41.4 |
| 15 (C) | 173.9 |
| 16 (CH3) | 20 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 14.6 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
| 15a (CH3) | 51.4 |
