Spektraris NMR
8a,13-Dihydroxy-5-oxo-epi-neoverrucosane
Common Name: 8a,13-Dihydroxy-5-oxo-epi-neoverrucosane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-11(2)20(23)7-6-17(3)9-13(21)19(5)10-14(22)18(4)8-12(18)15(19)16(17)20/h11-13,15-16,21,23H,6-10H2,1-5H3/t12-,13-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKey: InChIKey=VLOCIMCKBBUPCR-AHXPBYAWSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grammes, C., Burkhardt, G., Veith, M., Huch, V., Becker, H. Phytochemistry (1997) 44, 1495-502
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neoverrucosanes; 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) | 44.8 |
| 2 (CH) | 28 |
| 3 (C) | 28.8 |
| 4 (CH2) | 28.9 |
| 5 (C) | 210.7 |
| 6 (CH2) | 49.9 |
| 7 (C) | 46.7 |
| 8 (CH) | 73.2 |
| 9 (CH2) | 45.9 |
| 10 (C) | 42.7 |
| 11 (CH2) | 37.9 |
| 12 (CH2) | 35.2 |
| 13 (C) | 84.9 |
| 14 (CH) | 59.7 |
| 15 (CH) | 35.3 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 20.5 |
| 19 (CH3) | 11.5 |
| 20 (CH3) | 20.7 |
