Spektraris NMR
Cryptomeridiol-4-yl-19-acetoxylabda-8(17),13E-dien-19-oate
Common Name: Cryptomeridiol-4-yl-19-acetoxylabda-8(17),13E-dien-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31?,34-,35-,36+,37-/m1/s1
InChIKey: InChIKey=QIVLWPIJESKEMW-AXPJUASXSA-N
Formula: C37H60O5
Molecular Weight: 584.870698
Exact Mass: 584.444075
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 39.4 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 38.4 |
| 4 (C) | 45.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 38.9 |
| 8 (C) | 148.1 |
| 9 (CH) | 55.4 |
| 10 (C) | 40.5 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 38.5 |
| 13 (C) | 142.9 |
| 14 (CH) | 118.1 |
| 15 (CH2) | 61.4 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 29.1 |
| 19 (C) | 175.9 |
| 20 (CH3) | 13.5 |
| 1' (CH2) | 40.5 |
| 2' (CH2) | 20.1 |
| 3' (CH2) | 37.8 |
| 4' (C) | 85.8 |
| 5' (CH) | 52.7 |
| 6' (CH2) | 21.8 |
| 7' (CH) | 50 |
| 8' (CH2) | 22.4 |
| 9' (CH2) | 44.8 |
| 10' (C) | 34.7 |
| 11' (C) | 72.8 |
| 12' (CH3) | 26.7 |
| 13' (CH3) | 27.9 |
| 14' (CH3) | 19.1 |
| 15' (CH3) | 18.5 |
| 15a (C) | 171.1 |
| 15b (CH3) | 21.1 |
