Spektraris NMR
Latilagascenes C
Common Name: Latilagascenes C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O8/c1-19-16-25-24(31(25,4)5)14-15-32(6)30(41-32)27-28(39-21(3)35)23(18-38-20(2)34)17-33(27,29(19)37)40-26(36)13-12-22-10-8-7-9-11-22/h7-13,16,23-25,27-28,30H,14-15,17-18H2,1-6H3/b13-12+,19-16+/t23-,24+,25-,27-,28+,30-,32-,33-/m1/s1
InChIKey: InChIKey=UQDDKMKEWHTBHL-HNLQHADLSA-N
Formula: C33H40O8
Molecular Weight: 564.667154
Exact Mass: 564.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duarte, N., Gyemant, N., Abreu, P.M., Molnar, J., Ferreira, M.J. Planta Med (2006) 72, 162-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 41 |
| 2 (CH) | 42.4 |
| 3 (CH) | 76.6 |
| 4 (CH) | 50.8 |
| 5 (CH) | 57 |
| 6 (C) | 63.4 |
| 7 (CH2) | 38.4 |
| 8 (CH2) | 23.4 |
| 9 (CH) | 34 |
| 10 (C) | 26.5 |
| 11 (CH) | 29.8 |
| 12 (CH) | 144.9 |
| 13 (C) | 133.9 |
| 14 (C) | 194.3 |
| 15 (C) | 90.9 |
| 16 (CH2) | 62.3 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 12.3 |
| 1' (C) | 165.4 |
| 2' (CH) | 117 |
| 3' (CH) | 147 |
| 4' (C) | 133.8 |
| 5' (CH) | 128.4 |
| 6' (CH) | 130.9 |
| 7' (CH) | 129 |
| 8' (CH) | 130.9 |
| 9' (CH) | 128.4 |
| 3a (C) | 170.9 |
| 3b (CH3) | 20.8 |
| 16a (C) | 169.1 |
| 16b (CH3) | 20.8 |
