Spektraris NMR
Euphoportlandol A
Common Name: Euphoportlandol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O13/c1-16-14-34(42)24(25(16)48-29(41)21-12-10-9-11-13-21)28(45-18(3)37)35(43)15-22-23(27(44-17(2)36)32(6,7)26(22)40)33(8,30(34)46-19(4)38)31(35)47-20(5)39/h9-13,16,24-25,27-28,30-31,42-43H,14-15H2,1-8H3/t16-,24+,25-,27-,28+,30+,31?,33-,34+,35-/m0/s1
InChIKey: InChIKey=PTEXYGPLJQNIPA-LYPZOFPISA-N
Formula: C35H42O13
Molecular Weight: 670.701532
Exact Mass: 670.262541
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Madureira, A.M., Gyemant, N., Ascenso, J.R., Abreu, P.M., Molnar, J., Ferreira, M.J. J Nat Prod (2006) 69, 950-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Segetanes; 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) | 47.8 |
| 2 (CH) | 37 |
| 3 (CH) | 80.6 |
| 4 (CH) | 47 |
| 5 (CH) | 69.5 |
| 6 (C) | 73.8 |
| 7 (CH2) | 30.3 |
| 8 (C) | 138.2 |
| 9 (C) | 208.6 |
| 10 (C) | 48.1 |
| 11 (CH) | 79.5 |
| 12 (C) | 164 |
| 13 (C) | 47.3 |
| 14 (CH) | 75.6 |
| 15 (C) | 83.2 |
| 16 (CH3) | 14.5 |
| 17 (CH) | 73.7 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 21.8 |
| 3a (C) | 165.7 |
| 3b (C) | 129.4 |
| 3c (CH) | 129.1 |
| 3d (CH) | 128.7 |
| 3e (CH) | 133.5 |
| 3f (CH) | 128.7 |
| 3g (CH) | 129.1 |
| 5a (C) | 169.2 |
| 5b (CH3) | 20.5 |
| 11a (C) | 169.8 |
| 11b (CH3) | 20.8 |
| 14a (C) | 170.4 |
| 14b (CH3) | 20.8 |
| 17a (C) | 171 |
| 17b (CH3) | 20.8 |
