Spektraris NMR
Hopenone-I
Common Name: Hopenone-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-24H,9-18H2,1-8H3/t22-,23+,24+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=QIPITLICOVJMDG-KCFNGDSUSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Syu, W.J., Li, S.Y., Lin, C.H., Lee, G.H., Sun, C.M. J Nat Prod (2002) 65, 1857-62
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 |
| 2 (CH2) | 34.4 |
| 3 (C) | 218.6 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 20 |
| 7 (CH2) | 33 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 49.7 |
| 14 (C) | 42.3 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 20 |
| 17 (C) | 140 |
| 18 (C) | 50 |
| 19 (CH2) | 42 |
| 20 (CH2) | 27.7 |
| 21 (C) | 136.5 |
| 22 (CH) | 26.6 |
| 23 (CH3) | 26.9 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 15.1 |
| 28 (CH3) | 19.3 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 21.5 |
