Spektraris NMR
15-Carboxy-8b,16-dihydroxy-1,3,13Z-clerodatriene-17.12:18,6-diolide
Common Name: 15-Carboxy-8b,16-dihydroxy-1,3,13Z-clerodatriene-17.12:18,6-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O8/c1-18-7-12(10(9-21)6-15(22)23)27-17(25)20(18,26)8-14-19(2)11(16(24)28-14)4-3-5-13(18)19/h3-6,12-14,21,26H,7-9H2,1-2H3,(H,22,23)/b10-6-/t12-,13+,14-,18+,19+,20+/m0/s1
InChIKey: InChIKey=BHPYMXFPBKYXKF-KZBOPIEPSA-N
Formula: C20H22O8
Molecular Weight: 390.384654
Exact Mass: 390.131468
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Naβ, K., Becker, H. Phytochemistry (1998) 48, 681-5
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 (CH) | 128.9 |
| 2 (CH) | 126.3 |
| 3 (CH) | 128.6 |
| 4 (C) | 131.9 |
| 5 (C) | 37.1 |
| 6 (CH) | 82.4 |
| 7 (CH2) | 32.7 |
| 8 (C) | 76.1 |
| 9 (C) | 38.5 |
| 10 (CH) | 44.8 |
| 11 (CH2) | 33.4 |
| 12 (CH) | 72.6 |
| 13 (C) | 164 |
| 14 (CH) | 128.9 |
| 15 (C) | 169.5 |
| 16 (CH2) | 61.9 |
| 17 (C) | 171 |
| 18 (C) | 170.3 |
| 19 (CH3) | 26.1 |
| 20 (CH3) | 16.8 |
