Spektraris NMR
Excavatolide F
Common Name: Excavatolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O11/c1-9-10-24(34)39-20-14-22(37-18(5)32)28(7)21(36-17(4)31)12-11-15(2)13-23-30(29(8,41-30)27(35)40-23)26(38-19(6)33)25(28)16(20)3/h11-13,16,20-23,25-26H,9-10,14H2,1-8H3/b12-11+,15-13-/t16-,20-,21-,22-,23-,25+,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=GQDAKDHRSOAMMK-CTJTZJHLSA-N
Formula: C30H40O11
Molecular Weight: 576.633161
Exact Mass: 576.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Wang, G.H., Lin, S.F., Duh, C.Y., Sheu, J.H. J Nat Prod (1999) 62, 457-63
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) | 45.6 |
| 2 (CH) | 75.5 |
| 3 (CH) | 126.6 |
| 4 (CH) | 137.5 |
| 5 (C) | 141.7 |
| 6 (CH) | 116.8 |
| 7 (CH) | 76.6 |
| 8 (C) | 68.1 |
| 9 (CH) | 73.3 |
| 10 (CH) | 37.6 |
| 11 (CH) | 39 |
| 12 (CH) | 69.9 |
| 13 (CH2) | 26.2 |
| 14 (CH) | 74.1 |
| 15 (CH3) | 16.1 |
| 16 (CH3) | 23.6 |
| 17 (C) | 63.2 |
| 18 (CH3) | 9.9 |
| 19 (C) | 170.6 |
| 20 (CH3) | 10 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.8 |
| 9a (C) | 170 |
| 9b (CH3) | 21.1 |
| 12a (C) | 172.9 |
| 12b (CH2) | 36.2 |
| 12c (CH2) | 18.3 |
| 12d (CH3) | 13.6 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.2 |
