Spektraris NMR
Excavatolide Z
Common Name: Excavatolide Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-8-9-21(31)37-19-13-18(36-16(4)30)25(5)17(35-15(3)29)11-10-14(2)12-20-28(23(32)22(25)26(19,6)34)27(7,39-28)24(33)38-20/h12,17-20,22-23,32,34H,8-11,13H2,1-7H3/b14-12-/t17-,18-,19+,20-,22+,23-,25-,26-,27-,28-/m0/s1
InChIKey: InChIKey=XRAQIRFEYCGELS-KADCUUFXSA-N
Formula: C28H40O11
Molecular Weight: 552.611689
Exact Mass: 552.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Su, J.H., Wang, G.H., Duh, C.Y., Shen, Y.C., Chiang, M.Y., Chen, I.T. J Nat Prod (1999) 62, 1415-20
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) | 46.2 |
| 2 (CH) | 75.8 |
| 3 (CH2) | 31.9 |
| 4 (CH2) | 28.4 |
| 5 (C) | 145.9 |
| 6 (CH) | 117.6 |
| 7 (CH) | 75.4 |
| 8 (C) | 71.2 |
| 9 (CH) | 69.4 |
| 10 (CH) | 45.3 |
| 11 (C) | 76.8 |
| 12 (CH) | 75.1 |
| 13 (CH2) | 24.5 |
| 14 (CH) | 74.9 |
| 15 (CH3) | 15.6 |
| 16 (CH3) | 26.9 |
| 17 (C) | 63.6 |
| 18 (CH3) | 9.7 |
| 19 (C) | 171.9 |
| 20 (CH3) | 29.4 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.3 |
| 12a (C) | 173 |
| 12b (CH2) | 36.4 |
| 12c (CH2) | 19.2 |
| 12d (CH3) | 14.1 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.6 |
