Spektraris NMR
2b-(Formyloxy)clerod-3-en-15-oic Acid
Common Name: 2b-(Formyloxy)clerod-3-en-15-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-13(10-18(22)23)6-8-20(4)14(2)7-9-21(5)15(3)11-16(19(24)25)12-17(20)21/h11,13-14,16-17H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t13?,14-,16-,17-,20+,21+/m1/s1
InChIKey: InChIKey=SPTSFABUXSNAAF-ZIRHROEQSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93
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) | 25 |
| 2 (CH) | 69.1 |
| 3 (CH) | 117.6 |
| 4 (C) | 153 |
| 5 (C) | 38.5 |
| 6 (CH2) | 36.2 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 36.2 |
| 9 (C) | 38.2 |
| 10 (CH) | 41.3 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 28.7 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.4 |
| 15 (C) | 177.4 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 15.7 |
| 18 (CH3) | 18 |
| 19 (CH3) | 18.5 |
| 20 (CH3) | 18.3 |
| 2a (C) | 161 |
