Spektraris NMR
Euphoportlandol B
Common Name: Euphoportlandol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O13/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/h9-13,16,22-25,27-28,30-31,42-43H,14-15H2,1-8H3/t16-,22+,23+,24+,25-,27-,28+,30+,31?,33-,34+,35-/m0/s1
InChIKey: InChIKey=BZLGMRUWTOKQOO-JOXKBMTQSA-N
Formula: C35H44O13
Molecular Weight: 672.717414
Exact Mass: 672.278191
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) | 50.2 |
| 2 (CH) | 37.1 |
| 3 (CH) | 80.7 |
| 4 (CH) | 47.7 |
| 5 (CH) | 69.5 |
| 6 (C) | 74.6 |
| 7 (CH2) | 32.1 |
| 8 (CH) | 45 |
| 9 (C) | 215.2 |
| 10 (C) | 49.6 |
| 11 (CH) | 77.4 |
| 12 (CH) | 46.4 |
| 13 (C) | 45.6 |
| 14 (CH) | 75.4 |
| 15 (C) | 82.2 |
| 16 (CH3) | 14.2 |
| 17 (CH) | 74 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 25.2 |
| 20 (CH3) | 26.9 |
| 3a (C) | 165.8 |
| 3b (C) | 129.4 |
| 3c (CH) | 129.2 |
| 3d (CH) | 128.8 |
| 3e (CH) | 133.4 |
| 3f (CH) | 128.8 |
| 3g (CH) | 129.2 |
| 5a (C) | 169.5 |
| 5b (CH3) | 20.5 |
| 11a (C) | 169.8 |
| 11b (CH3) | 20.9 |
| 14a (C) | 170.5 |
| 14b (CH3) | 20.9 |
| 17a (C) | 171.2 |
| 17b (CH3) | 20.9 |
