Spektraris NMR
Briaexcavatolide B
Common Name: Briaexcavatolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-8-9-21(31)36-19-12-13-25(5)18(34-16(3)29)11-10-15(2)14-20-28(27(7,38-28)24(32)37-20)23(35-17(4)30)22(25)26(19,6)33/h12-14,18-20,22-23,33H,8-11H2,1-7H3/b15-14-/t18-,19+,20-,22+,23-,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=KUWFKJFQTPZERN-XAZIYYEBSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sheu, J., Sung, P., Su, J., Liu, H., Duh, C., Chiang, M.Y. Tetrahedron (1999) 55, 14555-64
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) | 46.4 |
| 2 (CH) | 80.1 |
| 3 (CH2) | 32.3 |
| 4 (CH2) | 26.3 |
| 5 (C) | 145.8 |
| 6 (CH) | 120.2 |
| 7 (CH) | 74.9 |
| 8 (C) | 71 |
| 9 (CH) | 68.6 |
| 10 (CH) | 42.5 |
| 11 (C) | 72.9 |
| 12 (CH) | 74.1 |
| 13 (CH) | 120.7 |
| 14 (CH) | 142.2 |
| 15 (CH3) | 20.2 |
| 16 (CH3) | 21 |
| 17 (C) | 63.2 |
| 18 (CH3) | 10.4 |
| 19 (C) | 170.1 |
| 20 (CH3) | 28.1 |
| 2a (C) | 169.3 |
| 2b (CH3) | 21.1 |
| 9a (C) | 171.8 |
| 9b (CH3) | 21.6 |
| 12a (C) | 172.6 |
| 12b (CH2) | 36.7 |
| 12c (CH2) | 18.8 |
| 12d (CH3) | 13.7 |
