Spektraris NMR
10,11-Dihydrosodwanone B
Common Name: 10,11-Dihydrosodwanone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-17-9-12-23-29(7,15-14-22(32)28(5,6)35-23)19(17)10-11-20-18(2)24(33)25(34)26-27(3,4)21(31)13-16-30(20,26)8/h23,34H,9-16H2,1-8H3/t23-,29-,30+/m0/s1
InChIKey: InChIKey=VKIJOVXDKUKSCD-KEPSJGTLSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Fishback, J.A., Zhou, Y.D., Nagle, D.G. J Nat Prod (2006) 69, 1715-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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 |
|---|---|
| 2 (C) | 82.7 |
| 3 (C) | 218 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 38.1 |
| 6 (C) | 42.3 |
| 7 (CH) | 79.7 |
| 8 (CH2) | 31.1 |
| 9 (CH2) | 26.9 |
| 10 (C) | 129 |
| 11 (C) | 135.5 |
| 12 (CH2) | 28.6 |
| 13 (CH2) | 32.2 |
| 14 (C) | 163.4 |
| 15 (C) | 129.5 |
| 16 (C) | 181.4 |
| 17 (C) | 141.9 |
| 18 (C) | 137.6 |
| 19 (C) | 43 |
| 20 (CH2) | 27 |
| 21 (CH2) | 32.5 |
| 22 (C) | 214 |
| 23 (C) | 48.1 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 12.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 20.5 |
| 31 (CH3) | 24.3 |
