Spektraris NMR
Nivulianol B
Common Name: Nivulianol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-10-16(4)26(31)34-22-18(6)13-28-25(33-20(8)29)19(7)14-27(28,35-28)24(30)17(5)11-12-21(15(2)3)23(22)32-9/h10-13,17,19,21-23,25H,2,14H2,1,3-9H3/b12-11-,16-10-,18-13+/t17?,19-,21-,22+,23-,25-,27-,28-/m0/s1
InChIKey: InChIKey=OPARQFUIZRQPCQ-FIYNLPIFSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Srinivasulu, M., Reddy, V.L.N., Reddy, S.M., Ravikanth, V., Raju, T.V., Ramakrishna, S., Venkateswarlu, Y. Helv Chim Acta (2005) 88, 2527-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 33.82 |
| 2 (CH) | 29.79 |
| 3 (CH) | 79.34 |
| 4 (C) | 73.72 |
| 5 (CH) | 116.78 |
| 6 (C) | 141.62 |
| 7 (CH) | 72.6 |
| 8 (CH) | 77.8 |
| 9 (CH) | 52.77 |
| 10 (C) | 145.5 |
| 11 (CH) | 132.35 |
| 12 (CH) | 128.43 |
| 13 (CH) | 45.89 |
| 14 (C) | 206.99 |
| 15 (C) | 72.51 |
| 16 (CH3) | 16.89 |
| 17 (CH3) | 17.44 |
| 18 (CH3) | 20.65 |
| 19 (CH2) | 110.79 |
| 20 (CH3) | 17.03 |
| 3a (C) | 170.09 |
| 3b (CH3) | 20.65 |
| 7a (C) | 166.2 |
| 7b (C) | 127.45 |
| 7c (CH) | 139.48 |
| 7d (CH3) | 16.03 |
| 7ba (CH3) | 20.65 |
| 8a (CH3) | 57.48 |
