Spektraris NMR
Briaranolide A
Common Name: Briaranolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O13/c1-13-10-11-20(37-15(3)31)28(8)22(13)25(40-18(6)34)30-21(42-27(36)29(30,9)43-30)12-14(2)23(38-16(4)32)24(39-17(5)33)26(28)41-19(7)35/h10,12,20-26H,11H2,1-9H3/b14-12-/t20-,21-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=VVIOGGVBTYJURI-SZDQRAQNSA-N
Formula: C30H38O13
Molecular Weight: 606.61609
Exact Mass: 606.231241
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) | 42.3 |
| 2 (CH) | 72.8 |
| 3 (CH) | 70.7 |
| 4 (CH) | 65.8 |
| 5 (C) | 140.7 |
| 6 (CH) | 124.3 |
| 7 (CH) | 74.7 |
| 8 (C) | 71.3 |
| 9 (CH) | 72.6 |
| 10 (CH) | 43.8 |
| 11 (C) | 131.2 |
| 12 (CH) | 122 |
| 13 (CH2) | 28.1 |
| 14 (CH) | 73.9 |
| 15 (CH3) | 17.6 |
| 16 (CH3) | 17.4 |
| 17 (C) | 62.1 |
| 18 (CH3) | 10.2 |
| 19 (C) | 170.8 |
| 20 (CH3) | 22.1 |
| 2a (C) | 169.3 |
| 2b (CH3) | 20.8 |
| 3a (C) | 169.2 |
| 3b (CH3) | 20.5 |
| 4a (C) | 169 |
| 4b (CH3) | 20.5 |
| 9a (C) | 169.2 |
| 9b (CH3) | 20.8 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21 |
