Spektraris NMR
4a-hydroxy-pristimerin
Common Name: 4a-hydroxy-pristimerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5/c1-25-10-11-26(2,24(33)35-7)17-22(25)29(5)15-13-27(3)19-16-20(31)23(32)30(6,34)18(19)8-9-21(27)28(29,4)14-12-25/h8-9,16,22,34H,10-15,17H2,1-7H3/t22-,25-,26-,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=CKUQWAJYIKWVEW-SRYSVAFQSA-N
Formula: C30H40O5
Molecular Weight: 480.636732
Exact Mass: 480.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Alvarenga, N.L., EstevezBraun, A., Ravelo, A.G., Estevez Reyes, R. Tetrahedron (1996) 52, 10667-72
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 123 |
| 2 (C) | 183.1 |
| 3 (C) | 199.2 |
| 4 (C) | 81.1 |
| 5 (C) | 135.5 |
| 6 (CH) | 126.5 |
| 7 (CH) | 116.1 |
| 8 (C) | 162.2 |
| 9 (C) | 42.4 |
| 10 (C) | 175.1 |
| 11 (CH2) | 33.1 |
| 12 (CH2) | 29.8 |
| 13 (C) | 38.1 |
| 14 (C) | 44.8 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 34.7 |
| 17 (C) | 40.5 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 29.5 |
| 20 (C) | 30.5 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 36.3 |
| 23 (CH3) | 26.8 |
| 25 (CH3) | 34.5 |
| 26 (CH3) | 22.3 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 31.5 |
| 29 (C) | 178.8 |
| 30 (CH3) | 32.7 |
| 29a (CH3) | 51.6 |
