Spektraris NMR
Aleppicatine A
Common Name: Aleppicatine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O13/c1-12-15(2)29(41)46-28-25-26(43-18(5)37)16(3)14-34(25,47-21(8)40)30(44-19(6)38)33(11)27-24-22(32(24,9)10)13-23(42-17(4)36)35(27,28)31(48-33)45-20(7)39/h12,16,22-28,30-31H,13-14H2,1-11H3/b15-12+/t16-,22-,23+,24-,25+,26-,27-,28+,30+,31-,33+,34+,35-/m0/s1
InChIKey: InChIKey=JGNWCQQRLBPBFT-HNNUMCOTSA-N
Formula: C35H48O13
Molecular Weight: 676.749177
Exact Mass: 676.309492
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) | 44.8 |
| 2 (CH) | 36.5 |
| 3 (CH) | 76.8 |
| 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) | 19.2 |
| 11 (CH) | 23.6 |
| 12 (CH) | 37.9 |
| 13 (C) | 88.2 |
| 14 (CH) | 73.1 |
| 15 (C) | 89.5 |
| 16 (CH3) | 14.6 |
| 17 (CH) | 97.9 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 25.2 |
| 3a (C) | 169.1 |
| 3b (CH3) | 20.7 |
| 5a (C) | 165.7 |
| 5b (C) | 128.8 |
| 5c (CH) | 138.3 |
| 5d (CH3) | 11.9 |
| 5ba (CH3) | 14.3 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.3 |
| 15a (C) | 170.6 |
| 15b (CH3) | 23.6 |
| 17a (C) | 169.1 |
| 17b (CH3) | 21 |
