Spektraris NMR
Neriifoliol
Common Name: Neriifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-20(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20?,21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=JUVRJUWZCPMWHK-RCOVIKTCSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamaya R., Tanaka Y., Hiyama R., Ageta H. Chem Pharm Bull (1990) 38, 2130
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.3 |
| 14 (C) | 41.8 |
| 15 (CH2) | 33.6 |
| 16 (CH2) | 22 |
| 17 (CH) | 54.2 |
| 18 (C) | 44.5 |
| 19 (CH2) | 41.6 |
| 20 (CH2) | 26.3 |
| 21 (CH) | 41 |
| 22 (CH) | 38.7 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 15.9 |
| 29 (CH2) | 68.1 |
| 30 (CH3) | 21.6 |
