Spektraris NMR
17-Epi 12-dehydroxyheudebolin
Common Name: 17-Epi 12-dehydroxyheudebolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O9/c1-16-12-21(20-8-10-36-14-20)26-25(16)32(7)22(9-11-37-26)31(6)24(40-18(3)34)13-23(39-17(2)33)30(5)15-38-27(28(30)31)29(32)41-19(4)35/h8-11,14,21-24,26-29H,12-13,15H2,1-7H3/t21-,22+,23+,24-,26-,27-,28-,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=TWDDIFMJTQSEAJ-AEBWRRJASA-N
Formula: C32H40O9
Molecular Weight: 568.655823
Exact Mass: 568.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tane, P., Akam, M.T., Tsopmo, A., Ndi, C.P., Sterner, O. Phytochemistry (2004) 65, 3083-7
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) | 71.3 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 71.4 |
| 4 (C) | 42 |
| 5 (CH) | 40.3 |
| 6 (CH) | 72 |
| 7 (CH) | 73.8 |
| 8 (C) | 49.4 |
| 9 (CH) | 40.2 |
| 10 (C) | 39 |
| 11 (CH) | 96.9 |
| 12 (CH) | 144.2 |
| 13 (C) | 143 |
| 14 (C) | 141.4 |
| 15 (CH) | 85.1 |
| 16 (CH2) | 37.7 |
| 17 (CH) | 46.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 15.7 |
| 20 (C) | 127.5 |
| 21 (CH) | 139 |
| 22 (CH) | 110.1 |
| 23 (CH) | 142.7 |
| 28 (CH2) | 77.8 |
| 29 (CH3) | 18.9 |
| 30 (CH3) | 19.8 |
| 1a (C) | 169.5 |
| 1b (CH3) | 20.7 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21 |
| 7a (C) | 169.3 |
| 7b (CH3) | 20.6 |
