Spektraris NMR
Latilagascenes A
Common Name: Latilagascenes A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O7/c1-18-15-23-22(29(23,3)4)13-14-30(5)28(38-30)25-26(34)21(17-36-19(2)32)16-31(25,27(18)35)37-24(33)12-11-20-9-7-6-8-10-20/h6-12,15,21-23,25-26,28,34H,13-14,16-17H2,1-5H3/b12-11+,18-15+/t21-,22+,23-,25-,26+,28-,30-,31-/m1/s1
InChIKey: InChIKey=FBOHALPSGMVLNF-YWQUVCRUSA-N
Formula: C31H38O7
Molecular Weight: 522.630396
Exact Mass: 522.261754
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) | 39.8 |
| 2 (CH) | 44.3 |
| 3 (CH) | 74.7 |
| 4 (CH) | 51.7 |
| 5 (CH) | 58 |
| 6 (C) | 63.9 |
| 7 (CH2) | 38.7 |
| 8 (CH2) | 23.3 |
| 9 (CH) | 33.9 |
| 10 (C) | 26.4 |
| 11 (CH) | 29.8 |
| 12 (CH) | 144.7 |
| 13 (C) | 133.9 |
| 14 (C) | 194.8 |
| 15 (C) | 91.2 |
| 16 (CH2) | 62.8 |
| 17 (CH3) | 20 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 12.3 |
| 1' (C) | 165.6 |
| 2' (CH) | 117.3 |
| 3' (CH) | 146.7 |
| 4' (C) | 133.9 |
| 5' (CH) | 128.2 |
| 6' (CH) | 130.8 |
| 7' (CH) | 129 |
| 8' (CH) | 130.8 |
| 9' (CH) | 128.2 |
| 16a (C) | 172.2 |
| 16b (CH3) | 20.9 |
