Spektraris NMR
Briaexcavatolide W
Common Name: Briaexcavatolide W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-8-9-21(32)37-18-10-11-25(5)19(35-15(3)29)13-17(31)14(2)12-20-28(27(7,39-28)24(33)38-20)23(36-16(4)30)22(25)26(18,6)34/h10-12,17-20,22-23,31,34H,8-9,13H2,1-7H3/b14-12-/t17-,18+,19+,20+,22-,23+,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=YBPSQTXNBRIJEV-CXFIZZDUSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S., Sung, P., Su, J., Wang, G., Sheu, J. Heterocycles (2004) 63, 895-8
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) | 45.5 |
| 2 (CH) | 77.8 |
| 3 (CH2) | 41.7 |
| 4 (CH) | 71.1 |
| 5 (C) | 147.7 |
| 6 (CH) | 122.1 |
| 7 (CH) | 73.3 |
| 8 (C) | 70.1 |
| 9 (CH) | 66.8 |
| 10 (CH) | 44.2 |
| 11 (C) | 73.5 |
| 12 (CH) | 73.1 |
| 13 (CH) | 120.4 |
| 14 (CH) | 141.8 |
| 15 (CH3) | 18.1 |
| 16 (CH3) | 25.7 |
| 17 (C) | 62.4 |
| 18 (CH3) | 9.7 |
| 19 (C) | 171.1 |
| 20 (CH3) | 28 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.7 |
| 9a (C) | 169.3 |
| 9b (CH3) | 21.1 |
| 12a (C) | 172.2 |
| 12b (CH2) | 36.5 |
| 12c (CH2) | 18.4 |
| 12d (CH3) | 13.7 |
