Spektraris NMR
Bourjotinolone B
Common Name: Bourjotinolone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)26(33)23(31)17-19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,19-21,23-24,26,31,33H,1,10-17H2,2-8H3/t19-,20-,21-,23+,24-,26+,28+,29-,30+/m0/s1
InChIKey: InChIKey=QBWKYTISLGOVJD-FVGKOEIBSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Fan, C.Q., Yin, S., Lin, L.P., Ding, J., Yue, J.M. Helv Chim Acta (2008) 91, 510-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.5 |
| 2 (CH2) | 35 |
| 3 (C) | 217 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 117.9 |
| 8 (C) | 145.8 |
| 9 (CH) | 48.4 |
| 10 (C) | 34.9 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.7 |
| 13 (C) | 43.5 |
| 14 (C) | 51.1 |
| 15 (CH2) | 34 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 53.7 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 34.5 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 70.8 |
| 24 (CH) | 76.7 |
| 25 (C) | 154.1 |
| 26 (CH2) | 113 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.4 |
