Spektraris NMR
2,3-O-Dimethoxy-blepharotriol
Common Name: 2,3-O-Dimethoxy-blepharotriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O6/c1-27-9-10-28(2,26(34)37-8)17-22(27)31(5)14-12-29(3)18-15-20(35-6)25(36-7)24(33)23(18)19(32)16-21(29)30(31,4)13-11-27/h15-16,22,33H,9-14,17H2,1-8H3/t22-,27-,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=MYRAWEZFCFGFTJ-WEIREEAVSA-N
Formula: C31H42O6
Molecular Weight: 510.662754
Exact Mass: 510.298139
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) | 99.3 |
| 2 (C) | 157.9 |
| 3 (C) | 134.1 |
| 4 (C) | 155.5 |
| 5 (C) | 110.2 |
| 6 (C) | 189.2 |
| 7 (CH) | 123.7 |
| 8 (C) | 177.7 |
| 9 (C) | 40.8 |
| 10 (C) | 153.2 |
| 11 (CH2) | 33.9 |
| 12 (CH2) | 29.7 |
| 13 (C) | 39.4 |
| 14 (C) | 45.4 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 34.8 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 30.9 |
| 20 (C) | 40.5 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 36.3 |
| 25 (CH3) | 37.7 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 31.6 |
| 29 (C) | 178.9 |
| 30 (CH3) | 32.8 |
| 2a (CH3) | 56 |
| 3a (CH3) | 60.6 |
| 29a (CH3) | 51.5 |
