Spektraris NMR
Blepharotriol
Common Name: Blepharotriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O6/c1-25-7-8-26(2,24(34)35-6)15-20(25)29(5)12-10-27(3)16-13-18(31)22(32)23(33)21(16)17(30)14-19(27)28(29,4)11-9-25/h13-14,20,31-33H,7-12,15H2,1-6H3/t20-,25-,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=HQWIBPMOZRBBCQ-XOKHPUJZSA-N
Formula: C29H38O6
Molecular Weight: 482.609519
Exact Mass: 482.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, F.M., Lopez, M.R., Jimenez, I.A., Moujir, L., Ravelo, A.G., Bazzocchi, I.L. Tetrahedron (2005) 61, 2513-9
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) | 103.2 |
| 2 (C) | 149.5 |
| 3 (C) | 128.5 |
| 4 (C) | 148.8 |
| 5 (C) | 108.7 |
| 6 (C) | 189.3 |
| 7 (CH) | 123.4 |
| 8 (C) | 178.1 |
| 9 (C) | 40.5 |
| 10 (C) | 150 |
| 11 (CH2) | 33.7 |
| 12 (CH2) | 29.8 |
| 13 (C) | 39.5 |
| 14 (C) | 45.4 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 34.8 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 30.8 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.3 |
| 22 (CH2) | 36.3 |
| 25 (CH3) | 37.6 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 14.1 |
| 28 (CH3) | 31.6 |
| 29 (C) | 178.8 |
| 30 (CH3) | 32.7 |
| 29a (CH3) | 51.5 |
