Spektraris NMR
Nivulianol A
Common Name: Nivulianol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-10-15(2)25(31)35-21-17(4)13-28-24(34-19(6)29)18(5)14-27(28,36-28)23(30)16(3)11-12-20(22(21)33-9)26(7,8)32/h10-13,16,18,20-22,24,32H,14H2,1-9H3/b12-11-,15-10-,17-13+/t16?,18-,20+,21+,22-,24-,27-,28-/m0/s1
InChIKey: InChIKey=RAIAAHODDGFVPW-DCICHHFZSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
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) | 33.5 |
| 2 (CH) | 29.7 |
| 3 (CH) | 77.7 |
| 4 (C) | 73.7 |
| 5 (CH) | 116.6 |
| 6 (C) | 141.4 |
| 7 (CH) | 72.19 |
| 8 (CH) | 72.39 |
| 9 (CH) | 54.05 |
| 10 (C) | 81.4 |
| 11 (CH) | 132.31 |
| 12 (CH) | 129.8 |
| 13 (CH) | 45.8 |
| 14 (C) | 207.1 |
| 15 (C) | 72.68 |
| 16 (CH3) | 16.9 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 17.3 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.7 |
| 7a (C) | 166.3 |
| 7b (C) | 127.2 |
| 7c (CH) | 139.8 |
| 7d (CH3) | 15.9 |
| 7ba (CH3) | 20.6 |
| 8a (CH3) | 56.55 |
