Spektraris NMR
Aleppicatine B
Common Name: Aleppicatine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O13/c1-13-17(3)31(43)49-30-27-28(46-21(7)40)19(5)16-37(27,50-32(44)18(4)14-2)33(47-22(8)41)36(12)29-26-24(35(26,10)11)15-25(45-20(6)39)38(29,30)34(51-36)48-23(9)42/h13-14,19,24-30,33-34H,15-16H2,1-12H3/b17-13+,18-14+/t19-,24-,25+,26-,27+,28-,29-,30+,33+,34-,36+,37+,38-/m0/s1
InChIKey: InChIKey=LLRSOVBLUBOAPM-ALXHPVNSSA-N
Formula: C38H52O13
Molecular Weight: 716.813147
Exact Mass: 716.340792
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oksuz, S., Gurek, F., Lin, L.Z., Gil, R.R., Pezzuto, J.M., Cordell, G.A. Phytochemistry (1996) 42, 473-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyclolathyranes; 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 (CH2) | 44.7 |
| 2 (CH) | 36.8 |
| 3 (CH) | 76.9 |
| 4 (CH) | 51.5 |
| 5 (CH) | 66.9 |
| 6 (C) | 56.3 |
| 7 (CH) | 71.7 |
| 8 (CH2) | 25.1 |
| 9 (CH) | 18.3 |
| 10 (C) | 19.1 |
| 11 (CH) | 23.5 |
| 12 (CH) | 37.9 |
| 13 (C) | 88.4 |
| 14 (CH) | 72.3 |
| 15 (C) | 89.5 |
| 16 (CH3) | 14.5 |
| 17 (CH) | 97.8 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 25.1 |
| 3a (C) | 168.9 |
| 3b (CH3) | 21 |
| 5a (C) | 165.7 |
| 5b (C) | 128.5 |
| 5c (CH) | 138.2 |
| 5d (CH3) | 11.9 |
| 5ba (CH3) | 14.3 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.4 |
| 15a (C) | 165.6 |
| 15b (C) | 128.8 |
| 15c (CH) | 139 |
| 15d (CH3) | 12.3 |
| 15ba (CH3) | 14.5 |
| 17a (C) | 170.6 |
| 17b (CH3) | 18.3 |
