Spektraris NMR
Jezananal A
Common Name: Jezananal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-26(2)23-17-31(19-32)18-28(5)14-11-20-27(3,4)25(34-8)13-16-29(20,6)21(28)9-10-22(31)30(23,7)15-12-24(26)33/h19-25,33H,9-18H2,1-8H3/t20-,21-,22+,23-,24+,25-,28-,29-,30+,31+/m0/s1
InChIKey: InChIKey=YYUNDMHOTCWTBK-BVPBCQROSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., In, Y., Ishida, T., Matsunaga, S., Tokuda, H., Muraoka, O. Tetrahedron (2002) 58, 2505-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 38.2 |
| 2 (CH2) | 22.2 |
| 3 (CH) | 88.5 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 44.6 |
| 8 (C) | 39 |
| 9 (CH) | 66.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 29.1 |
| 13 (CH) | 49.9 |
| 14 (C) | 59 |
| 15 (CH) | 204.2 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 45.6 |
| 18 (C) | 44.6 |
| 19 (CH2) | 32.7 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 75.1 |
| 22 (C) | 36.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 22.8 |
| 27 (CH2) | 54.7 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 28 |
| 3a (CH3) | 57.5 |
