Spektraris NMR
Excavatolide D
Common Name: Excavatolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-11-8-17(33-13(3)27)21(31)24(6)18(34-14(4)28)10-16(30)12(2)20(24)22(35-15(5)29)26-19(9-11)36-23(32)25(26,7)37-26/h9,12,16-22,30-31H,8,10H2,1-7H3/b11-9-/t12-,16-,17-,18-,19-,20+,21-,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=CFPXJIULHDSQCG-LTSYTUNSSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Cheng, M.C., Liu, H.Y., Fang, L.S., Duh, C.Y., Chiang, M.Y. J Nat Prod (1998) 61, 602-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 45.79 |
| 2 (CH) | 84 |
| 3 (CH) | 77.51 |
| 4 (CH2) | 35.14 |
| 5 (C) | 141.87 |
| 6 (CH) | 123.31 |
| 7 (CH) | 75.47 |
| 8 (C) | 70.79 |
| 9 (CH) | 66.8 |
| 10 (CH) | 42.26 |
| 11 (CH) | 36.95 |
| 12 (CH) | 67.58 |
| 13 (CH2) | 31.98 |
| 14 (CH) | 82.65 |
| 15 (CH3) | 20.79 |
| 16 (CH3) | 23.59 |
| 17 (C) | 61.17 |
| 18 (CH3) | 10.72 |
| 19 (C) | 173.22 |
| 20 (CH3) | 10.07 |
| 3a (C) | 171.56 |
| 3b (CH3) | 22.76 |
| 9a (C) | 171.03 |
| 9b (CH3) | 22.51 |
| 14a (C) | 170.83 |
| 14b (CH3) | 22.09 |
