Spektraris NMR
Camelliagenin-A-16-acetate-22-(2•-methylbutanoate)
Common Name: Camelliagenin-A-16-acetate-22-(2•-methylbutanoate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O6/c1-11-22(2)31(41)43-29-19-32(4,5)18-25-24-12-13-27-34(8)16-15-28(40)33(6,7)26(34)14-17-35(27,9)36(24,10)20-30(42-23(3)39)37(25,29)21-38/h12,22,25-30,38,40H,11,13-21H2,1-10H3/t22?,25-,26-,27+,28-,29-,30+,34-,35+,36+,37+/m0/s1
InChIKey: InChIKey=HLIOWYKZGVLMEL-YSKUENKYSA-N
Formula: C37H60O6
Molecular Weight: 600.870103
Exact Mass: 600.43899
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chakravarty A.K., Das B., Pakrashi S.C. Phytochemistry (1987) 26, 2345
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.6 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 78.7 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.8 |
| 9 (CH) | 46.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 124.7 |
| 13 (C) | 140.5 |
| 14 (C) | 40.8 |
| 15 (CH2) | 30.7 |
| 16 (CH) | 70.7 |
| 17 (C) | 43.6 |
| 18 (CH) | 39.9 |
| 19 (CH2) | 46.6 |
| 20 (C) | 31.3 |
| 21 (CH2) | 41.5 |
| 22 (CH) | 72 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 26.7 |
| 28 (CH2) | 63.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.5 |
| 16a (C) | 169.2 |
| 16b (CH3) | 21.8 |
| 22a (C) | 177.7 |
| 22b (CH) | 41.6 |
| 22c (CH2) | 26.5 |
| 22d (CH3) | 11.6 |
| 22ba (CH3) | 16.6 |
