Spektraris NMR
Hosenkol A
Common Name: Hosenkol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-19(16-31)21-8-13-30(18-35-21)15-14-28(4)20(25(30)34)6-7-23-26(2)11-10-24(33)27(3,17-32)22(26)9-12-29(23,28)5/h19-25,31-34H,6-18H2,1-5H3/t19-,20+,21-,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=JPGKBRDEEANKGY-SWMRXHLFSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shoji, N., Umeyama, A., Yoshikawa, K., Kan, Y., Arihara, S. Tetrahedron (1994) 50, 4973
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baccharanes; 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) | 39.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 73.3 |
| 4 (C) | 43 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 41.7 |
| 14 (C) | 42.2 |
| 15 (CH2) | 26.7 |
| 16 (CH2) | 32.9 |
| 17 (C) | 35.9 |
| 18 (CH) | 79.8 |
| 19 (CH2) | 37.6 |
| 20 (CH2) | 26 |
| 21 (CH) | 79.6 |
| 22 (CH) | 40.5 |
| 23 (CH2) | 67.8 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 17 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.9 |
| 28 (CH2) | 72.4 |
| 29 (CH2) | 64.4 |
| 30 (CH3) | 13.4 |
