Spektraris NMR
Primulagenin A (3B,16B,28-trihydroxy-12-oleanene)
Common Name: Primulagenin A (3B,16B,28-trihydroxy-12-oleanene)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=YHGVYECWZWIVJC-TVZJSHMMSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Machocho A.K., Kiprono P.C., Grinberg S., Bittner S. Phytochemistry (2003) 62, 573-7
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) | 38.9 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.2 |
| 8 (C) | 40.7 |
| 9 (CH) | 48.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 122.6 |
| 13 (C) | 145.3 |
| 14 (C) | 42.5 |
| 15 (CH2) | 35.7 |
| 16 (CH) | 73.2 |
| 17 (C) | 41.2 |
| 18 (CH) | 48.3 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31.6 |
| 21 (CH2) | 37.1 |
| 22 (CH2) | 31.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 18 |
| 27 (CH3) | 27.1 |
| 28 (CH2) | 70.5 |
| 29 (CH3) | 33.6 |
| 30 (CH3) | 24.8 |
