Spektraris NMR
8a,16-Diacetoxy-13-hydroxy-5-oxo-epi-neoverrucosane
Common Name: 8a,16-Diacetoxy-13-hydroxy-5-oxo-epi-neoverrucosane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-13(12-29-14(2)25)24(28)8-7-21(4)11-18(30-15(3)26)23(6)10-17(27)22(5)9-16(22)19(23)20(21)24/h13,16,18-20,28H,7-12H2,1-6H3/t13?,16-,18-,19+,20+,21+,22-,23+,24-/m0/s1
InChIKey: InChIKey=FWLYMJIZCBOQPY-JJHBQEJRSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
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) | 45.5 |
| 2 (CH) | 29 |
| 3 (C) | 29.8 |
| 4 (CH2) | 27.6 |
| 5 (C) | 209.7 |
| 6 (CH2) | 49.4 |
| 7 (C) | 44.9 |
| 8 (CH) | 74.8 |
| 9 (CH2) | 42.6 |
| 10 (C) | 42.1 |
| 11 (CH2) | 37.9 |
| 12 (CH2) | 38 |
| 13 (C) | 83.5 |
| 14 (CH) | 59.6 |
| 15 (CH) | 40.9 |
| 16 (CH3) | 13.9 |
| 17 (CH2) | 67.1 |
| 18 (CH3) | 20.3 |
| 19 (CH3) | 12.6 |
| 20 (CH3) | 20.2 |
| 8a (C) | 170.4 |
| 8b (CH3) | 21.1 |
| 17a (C) | 170.9 |
| 17b (CH3) | 20.9 |
