Spektraris NMR
168,17-dihydroxyaphidicolan-18-oate
Common Name: 168,17-dihydroxyaphidicolan-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-18(17(23)25-3)7-4-8-19(2)16(18)6-5-14-11-15-12-20(14,19)9-10-21(15,24)13-22/h14-16,22,24H,4-13H2,1-3H3/t14-,15+,16-,18+,19-,20-,21-/m0/s1
InChIKey: InChIKey=SPJFQCDDGDTQJL-JXJRQGLWSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
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) | 33.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 26.1 |
| 7 (CH2) | 26.7 |
| 8 (CH) | 40.8 |
| 9 (C) | 48.8 |
| 10 (C) | 47.6 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 29.6 |
| 13 (C) | 74.5 |
| 14 (CH) | 41.5 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 32.6 |
| 17 (CH2) | 67.7 |
| 18 (C) | 179.8 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 15 |
| 18a (CH3) | 51.4 |
