Spektraris NMR
12-O-metilvolkesina
Common Name: 12-O-metilvolkesina
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23-13-26(38-8)42-22-12-21(20-10-11-39-15-20)18(3)27(22)34(23,7)30(28)36/h9-11,15,21-26,28-30,36H,12-14,16H2,1-8H3/b17-9+/t21-,22+,23-,24+,25+,26-,28-,29+,30-,32-,33+,34-/m1/s1
InChIKey: InChIKey=XDLKVPLICUIRQM-ZAXOJEQYSA-N
Formula: C34H46O9
Molecular Weight: 598.72494
Exact Mass: 598.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tada, K., Takido, M., Kitanaka, S. Phytochemistry (1999) 51, 787-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 70.9 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 71.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 38.5 |
| 6 (CH) | 74 |
| 7 (CH) | 73.4 |
| 8 (C) | 46.1 |
| 9 (CH) | 34.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 37.9 |
| 12 (CH) | 98 |
| 13 (C) | 139.1 |
| 14 (C) | 144.5 |
| 15 (CH) | 77 |
| 16 (CH2) | 31.5 |
| 17 (CH) | 46.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 16 |
| 20 (C) | 128.7 |
| 21 (CH) | 139 |
| 22 (CH) | 110.5 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 78 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 20.7 |
| 1a (C) | 166.8 |
| 1b (C) | 129.4 |
| 1c (CH) | 136.5 |
| 1d (CH3) | 14.3 |
| 1aa (CH3) | 11.9 |
| 3a (C) | 120.3 |
| 3b (CH3) | 20.8 |
| 12a (CH3) | 53.9 |
