Spektraris NMR
Briaranolide H
Common Name: Briaranolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O11/c1-9-11-24(35)39-20-14-16(3)15-22-31(30(8,42-31)28(36)40-22)27(38-19(6)33)25-17(4)12-13-21(37-18(5)32)29(25,7)26(20)41-23(34)10-2/h12,15,20-22,25-27H,9-11,13-14H2,1-8H3/b16-15-/t20-,21-,22-,25+,26-,27-,29-,30-,31-/m0/s1
InChIKey: InChIKey=IKFPLXHSMAIESM-IGUOHBOOSA-N
Formula: C31H42O11
Molecular Weight: 590.659779
Exact Mass: 590.272712
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 |
| 2 (CH) | 72.4 |
| 3 (CH) | 72.1 |
| 4 (CH2) | 33.9 |
| 5 (C) | 142.5 |
| 6 (CH) | 121.5 |
| 7 (CH) | 76 |
| 8 (C) | 71.6 |
| 9 (CH) | 72.6 |
| 10 (CH) | 44 |
| 11 (C) | 130.9 |
| 12 (CH) | 122.2 |
| 13 (CH2) | 28.1 |
| 14 (CH) | 73.4 |
| 15 (CH3) | 17 |
| 16 (CH3) | 23.4 |
| 17 (C) | 62.2 |
| 18 (CH3) | 10.5 |
| 19 (C) | 171.3 |
| 20 (CH3) | 21.7 |
| 2a (C) | 172.5 |
| 2b (CH2) | 27.7 |
| 2c (CH3) | 9.2 |
| 3a (C) | 172.1 |
| 3b (CH2) | 35.9 |
| 3c (CH2) | 17.9 |
| 3d (CH3) | 13.6 |
| 9a (C) | 169.2 |
| 9b (CH3) | 20.7 |
| 14a (C) | 170.2 |
| 14b (CH3) | 20.9 |
