Spektraris NMR
Briaexcavatolide V
Common Name: Briaexcavatolide V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-8-9-22(31)36-18-13-20(35-17(5)30)26(6)19(34-16(4)29)11-10-14(2)12-21-28(24(32)23(26)15(18)3)27(7,38-28)25(33)37-21/h12,15,18-21,23-24,32H,8-11,13H2,1-7H3/b14-12-/t15-,18-,19-,20-,21-,23+,24-,26-,27+,28-/m0/s1
InChIKey: InChIKey=SEHVRHIJQUNWQQ-HBKIWSPNSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
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) | 46 |
| 2 (CH) | 75.3 |
| 3 (CH2) | 28.5 |
| 4 (CH2) | 26 |
| 5 (C) | 145.6 |
| 6 (CH) | 117.8 |
| 7 (CH) | 75.7 |
| 8 (C) | 71.9 |
| 9 (CH) | 75.1 |
| 10 (CH) | 41.4 |
| 11 (CH) | 29.7 |
| 12 (CH) | 69.8 |
| 13 (CH2) | 31.7 |
| 14 (CH) | 75.7 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 27.1 |
| 17 (C) | 63.5 |
| 18 (CH3) | 10.3 |
| 19 (C) | 172.3 |
| 20 (CH3) | 10.3 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.3 |
| 12a (C) | 170.4 |
| 12b (CH2) | 36.4 |
| 12c (CH2) | 18.4 |
| 12d (CH3) | 13.7 |
| 14a (C) | 172.8 |
| 14b (CH3) | 21.5 |
