Spektraris NMR
pinicolol C
Common Name: pinicolol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-24,26,31,33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,26-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KKEFNIPVRNZVIF-VIXUXDSXSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 603-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.62 |
| 2 (CH2) | 34.81 |
| 3 (C) | 216.6 |
| 4 (C) | 47.44 |
| 5 (CH) | 50.51 |
| 6 (CH2) | 23.64 |
| 7 (CH) | 121.27 |
| 8 (C) | 140.97 |
| 9 (C) | 144.9 |
| 10 (C) | 37.29 |
| 11 (CH) | 116.82 |
| 12 (CH2) | 37.86 |
| 13 (C) | 44.12 |
| 14 (C) | 52.03 |
| 15 (CH) | 74.57 |
| 16 (CH2) | 39.62 |
| 17 (CH) | 42.99 |
| 18 (CH3) | 16.37 |
| 19 (CH3) | 22.17 |
| 20 (CH) | 42.38 |
| 21 (CH2) | 62.46 |
| 22 (CH2) | 29.78 |
| 23 (CH2) | 25.01 |
| 24 (CH) | 124.57 |
| 25 (C) | 131.77 |
| 26 (CH3) | 25.72 |
| 27 (CH3) | 17.76 |
| 28 (CH3) | 25.01 |
| 29 (CH3) | 22.47 |
| 30 (CH3) | 25.45 |
