Spektraris NMR
Briaranolide I
Common Name: Briaranolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O9/c1-13-8-10-18(31-15(3)27)24(6)19(32-16(4)28)11-9-14(2)21(24)22(33-17(5)29)26-20(12-13)34-23(30)25(26,7)35-26/h8-10,12,18-22H,11H2,1-7H3/b10-8+,13-12-/t18-,19-,20-,21+,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=MPKIEAMIIFXNDQ-FBZFKENMSA-N
Formula: C26H32O9
Molecular Weight: 488.527882
Exact Mass: 488.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoshino, A., Mitome, H., Tamai, S., Takiyama, H., Miyaoka, H. J Nat Prod (2005) 68, 1328-35
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 |
| 2 (CH) | 73.9 |
| 3 (CH) | 126.2 |
| 4 (CH) | 137.7 |
| 5 (C) | 142.4 |
| 6 (CH) | 117.4 |
| 7 (CH) | 77 |
| 8 (C) | 68.6 |
| 9 (CH) | 68.1 |
| 10 (CH) | 39.3 |
| 11 (C) | 131.4 |
| 12 (CH) | 123.2 |
| 13 (CH2) | 28.1 |
| 14 (CH) | 71.3 |
| 15 (CH3) | 13.8 |
| 16 (CH3) | 23.3 |
| 17 (C) | 64.1 |
| 18 (CH3) | 10.8 |
| 19 (C) | 170.7 |
| 20 (CH3) | 24.5 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21.2 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21.1 |
