Spektraris NMR
15,16-epoxy-15alpha-methoxy-ent-clerod-3-en-18-oic acid
Common Name: 15,16-epoxy-15alpha-methoxy-ent-clerod-3-en-18-oic acid
Synonyms: 15,16-epoxy-15alpha-methoxy-ent-clerod-3-en-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-14-8-10-21(3)16(19(22)23)6-5-7-17(21)20(14,2)11-9-15-12-18(24-4)25-13-15/h6,14-15,17-18H,5,7-13H2,1-4H3,(H,22,23)/t14-,15+,17-,18-,20+,21+/m1/s1
InChIKey: InChIKey=AGZLUBWOHWIZBV-WMPOZFHUSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, Y., Li, Y., Xu, J., Watanabe, R., Oshima, Y., Yamakuni, T., Ohizumi, Y. J Nat Prod (2006) 69, 274-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.5 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 140 |
| 4 (C) | 141.7 |
| 5 (C) | 37.6 |
| 6 (CH2) | 35.8 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 37.3 |
| 9 (C) | 38.6 |
| 10 (CH) | 46.6 |
| 11 (CH2) | 36.2 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 37.6 |
| 14 (CH2) | 39.4 |
| 15 (CH) | 105.3 |
| 16 (CH2) | 72.7 |
| 17 (CH3) | 16 |
| 18 (C) | 172.7 |
| 19 (CH3) | 20.6 |
| 20 (CH3) | 18.4 |
| 15a (CH3) | 54.6 |
