Spektraris NMR
Nepedinol
Common Name: Nepedinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17(16-31)18-8-10-27(4)12-13-28(5)19(24(18)27)14-20(32)25-29(28,6)11-9-21-26(2,3)22(33)15-23(34)30(21,25)7/h18-25,31-34H,1,8-16H2,2-7H3/t18-,19+,20+,21-,22-,23+,24+,25-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=RGQISYCPICNWAQ-AMZTXIEOSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Mohammad, F.V. J Nat Prod (1986) 49, 524-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 66.6 |
| 2 (CH2) | 37.6 |
| 3 (CH) | 75.1 |
| 4 (C) | 42.8 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.8 |
| 8 (C) | 43 |
| 9 (CH) | 53.5 |
| 10 (C) | 46.4 |
| 11 (CH) | 76.6 |
| 12 (CH2) | 35.1 |
| 13 (CH) | 36.3 |
| 14 (C) | 43.2 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 38 |
| 17 (C) | 43.2 |
| 18 (CH) | 49 |
| 19 (CH) | 44 |
| 20 (C) | 156.2 |
| 21 (CH2) | 28 |
| 22 (CH2) | 40 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 14.3 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 18 |
| 29 (CH2) | 106.6 |
| 30 (CH2) | 64.4 |
