Spektraris NMR
Briaexcavatolide U
Common Name: Briaexcavatolide U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-12-9-21-28(27(8,41-28)24(34)40-21)23(39-16(5)32)22-25(6,19(37-14(3)30)10-17(12)36-13(2)29)20(38-15(4)31)11-18(33)26(22,7)35/h9,17-23,33,35H,10-11H2,1-8H3/b12-9-/t17-,18+,19+,20+,21+,22-,23+,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=AHJOTKAOHXHJKI-LDRTYIIHSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - u S.L., Sung P.J., Su J.H., Sheu J.H. J Nat Prod (2003) 66, 1252-6
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) | 47.9 |
| 2 (CH) | 73.3 |
| 3 (CH2) | 37.7 |
| 4 (CH) | 72.3 |
| 5 (C) | 143.5 |
| 6 (CH) | 123.2 |
| 7 (CH) | 73.7 |
| 8 (C) | 70.5 |
| 9 (CH) | 67.2 |
| 10 (CH) | 48.9 |
| 11 (C) | 78.2 |
| 12 (CH) | 73.1 |
| 13 (CH2) | 30.2 |
| 14 (CH) | 74.8 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 25.4 |
| 17 (C) | 66.3 |
| 18 (CH3) | 10.3 |
| 19 (C) | 170.2 |
| 20 (CH3) | 17.1 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.4 |
| 4a (C) | 170.1 |
| 4b (CH3) | 21.3 |
| 9a (C) | 170 |
| 9b (CH3) | 21.1 |
| 14a (C) | 168 |
| 14b (CH3) | 21.1 |
