Spektraris NMR
Excavatolide C
Common Name: Excavatolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O12/c1-12-9-19(35-14(3)29)23(37-16(5)31)26(7)20(36-15(4)30)11-18(33)13(2)22(26)24(38-17(6)32)28-21(10-12)39-25(34)27(28,8)40-28/h10,13,18-24,33H,9,11H2,1-8H3/b12-10-/t13-,18-,19-,20-,21-,22+,23-,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=MXIDZAWPMIVXFC-JSUURTJWSA-N
Formula: C28H38O12
Molecular Weight: 566.595213
Exact Mass: 566.236327
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) | 43.97 |
| 2 (CH) | 81.05 |
| 3 (CH) | 73.62 |
| 4 (CH2) | 34.02 |
| 5 (C) | 139.96 |
| 6 (CH) | 122.52 |
| 7 (CH) | 74.29 |
| 8 (C) | 69.14 |
| 9 (CH) | 65.26 |
| 10 (CH) | 39.99 |
| 11 (CH) | 35.72 |
| 12 (CH) | 65.81 |
| 13 (CH2) | 30.22 |
| 14 (CH) | 82.04 |
| 15 (CH3) | 18.31 |
| 16 (CH3) | 20.85 |
| 17 (C) | 60.37 |
| 18 (CH3) | 10.1 |
| 19 (C) | 172.61 |
| 20 (CH3) | 9.28 |
| 2a (C) | 172.41 |
| 2b (CH3) | 22.81 |
| 3a (C) | 170.84 |
| 3b (CH3) | 22.42 |
| 9a (C) | 170.26 |
| 9b (CH3) | 22.13 |
| 14a (C) | 169.81 |
| 14b (CH3) | 21.45 |
