Spektraris NMR
Briarein H
Common Name: Briarein H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O14/c1-14-27(36)44-24-11-20(13-39-15(2)31)9-10-21(40-16(3)32)28(7)22(41-17(4)33)12-23(42-18(5)34)29(8,37)25(28)26(30(14,24)38)43-19(6)35/h9-11,14,21-26,37-38H,12-13H2,1-8H3/b10-9-,20-11+/t14-,21-,22-,23+,24-,25+,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=HTVWHCFKRMSRQO-DRUGDJOUSA-N
Formula: C30H40O14
Molecular Weight: 624.631376
Exact Mass: 624.241806
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Cobar, O.M. J Nat Prod (1996) 59, 15-22
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) | 45.4 |
| 2 (CH) | 75.3 |
| 3 (CH) | 132.3 |
| 4 (CH) | 127.5 |
| 5 (C) | 139 |
| 6 (CH) | 124 |
| 7 (CH) | 80 |
| 8 (C) | 81.1 |
| 9 (CH) | 69.1 |
| 10 (CH) | 38.1 |
| 11 (C) | 76.3 |
| 12 (CH) | 73.8 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 72.9 |
| 15 (CH3) | 14.1 |
| 16 (CH2) | 63.8 |
| 17 (CH) | 44.8 |
| 18 (CH3) | 6.6 |
| 19 (C) | 176.1 |
| 20 (CH3) | 25.6 |
| 2a (C) | 168.8 |
| 2b (CH3) | 21.5 |
| 9a (C) | 172.9 |
| 9b (CH3) | 21.3 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.3 |
| 14a (C) | 169.5 |
| 14b (CH3) | 21.2 |
| 16a (C) | 170.3 |
| 16b (CH3) | 20.9 |
