Spektraris NMR
Methyl 15-hydroxy-2-oxo-1(10)-ent-halimen-19-oate
Common Name: Methyl 15-hydroxy-2-oxo-1(10)-ent-halimen-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-14(9-11-22)8-10-20(3)15(2)6-7-17-18(20)12-16(23)13-21(17,4)19(24)25-5/h12,14-15,17,22H,6-11,13H2,1-5H3/t14-,15-,17+,20+,21+/m1/s1
InChIKey: InChIKey=DEHPMWRYJOFQBA-QOGIMEQTSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - deMendonca, D., Rodilla, J.M.L., Lithgow, A.M., Marcos, I.S. Phytochemistry (1997) 44, 1301-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) | 124.8 |
| 2 (C) | 197.2 |
| 3 (CH2) | 43 |
| 4 (C) | 46.2 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 41 |
| 9 (C) | 45.2 |
| 10 (C) | 169.9 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 30.2 |
| 14 (CH2) | 39.4 |
| 15 (CH2) | 60.9 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 21.2 |
| 19 (C) | 176.8 |
| 20 (CH3) | 21.9 |
| 19a (CH3) | 52.4 |
