Spektraris NMR
Sphenadilactone C
Common Name: Sphenadilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H39NO12/c1-12(33)32-13-9-14-25(2,3)41-15-10-16(34)42-30(14,15)11-29-8-7-26(4)20-18(27(5,38)23(26)36)19-22(28(6,39)24(37)40-19)43-31(20,44-29)21(35)17(13)29/h13-15,18-20,22,35,38-39H,7-11H2,1-6H3,(H,32,33)/t13-,14-,15+,18+,19+,20-,22-,26-,27+,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=PYUNFEXAYKBOOH-TXFVPDFUSA-N
Formula: C31H39N1O12
Molecular Weight: 617.642104
Exact Mass: 617.247226
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Huang, S.X., Pu, R.J.X., Lu, Y., Zheng, Y.T. Phytochemistry (2008) 69, 2862-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 80.4 |
| 2 (CH2) | 35.4 |
| 3 (C) | 174.8 |
| 4 (C) | 84.1 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 28.2 |
| 7 (CH) | 45.2 |
| 8 (C) | 108.8 |
| 9 (C) | 88.2 |
| 10 (C) | 95.7 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 31.5 |
| 13 (C) | 50.5 |
| 14 (C) | 153.9 |
| 15 (C) | 103.2 |
| 16 (CH) | 44.9 |
| 17 (C) | 220.6 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 41.8 |
| 20 (C) | 74.8 |
| 21 (CH3) | 24.2 |
| 22 (CH) | 42.5 |
| 23 (CH) | 73.6 |
| 24 (CH) | 75.6 |
| 25 (C) | 77.3 |
| 26 (C) | 177.9 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 20.7 |
| 29 (CH3) | 27.9 |
| 7a (C) | 173.3 |
| 7b (CH3) | 22.1 |
