Spektraris NMR
17-Formyloxy-16P-hydroxyaphidicolan-18-oate
Common Name: 17-Formyloxy-16P-hydroxyaphidicolan-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-19(18(24)26-3)7-4-8-20(2)17(19)6-5-15-11-16-12-21(15,20)9-10-22(16,25)13-27-14-23/h14-17,25H,4-13H2,1-3H3/t15-,16+,17-,19+,20-,21-,22-/m0/s1
InChIKey: InChIKey=CVZWSVCCWFAYTF-YQDJYLBVSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hanson, J.R., Truneh, A. Phytochemistry (1998) 47, 423-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemodanes; 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) | 37.2 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 33.1 |
| 4 (C) | 39.6 |
| 5 (CH) | 39.9 |
| 6 (CH2) | 26 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 41 |
| 9 (C) | 48.8 |
| 10 (C) | 47.5 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 28.6 |
| 13 (C) | 73.1 |
| 14 (CH) | 41.3 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 32.4 |
| 17 (CH2) | 69.1 |
| 18 (C) | 179.6 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 14.9 |
| 17a (CH) | 181.6 |
| 18a (CH3) | 51.8 |
