Spektraris NMR
Excavatolide W
Common Name: Excavatolide W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O10/c1-8-21(30)35-17-12-19(34-16(5)29)25(6)18(33-15(4)28)10-9-13(2)11-20-27(23(31)22(25)14(17)3)26(7,37-27)24(32)36-20/h11,14,17-20,22-23,31H,8-10,12H2,1-7H3/b13-11-/t14-,17-,18-,19-,20-,22+,23-,25-,26-,27-/m0/s1
InChIKey: InChIKey=QBPHCUGJAMMXSE-GKECYSCXSA-N
Formula: C27H38O10
Molecular Weight: 522.585667
Exact Mass: 522.246497
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 (CH) | 75.4 |
| 3 (CH2) | 31.7 |
| 4 (CH2) | 28.5 |
| 5 (C) | 145.6 |
| 6 (CH) | 117.7 |
| 7 (CH) | 76 |
| 8 (C) | 72 |
| 9 (CH) | 74.9 |
| 10 (CH) | 41.4 |
| 11 (CH) | 27.2 |
| 12 (CH) | 70 |
| 13 (CH2) | 26 |
| 14 (CH) | 75.8 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 27.1 |
| 17 (C) | 63.6 |
| 18 (CH3) | 10.2 |
| 19 (C) | 172.9 |
| 20 (CH3) | 10.3 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.3 |
| 12a (C) | 173.6 |
| 12b (CH2) | 27.7 |
| 12c (CH3) | 9.1 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.5 |
