Spektraris NMR
BriareolideH
Common Name: BriareolideH
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/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/h9,12,18-22H,8,10-11H2,1-7H3/b13-12-/t18-,19-,20-,21+,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=GBZASDFVUGDNRC-RWMVVWHDSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Huang, L.H., Lee, S.F., Wu, T.H., Chang, B.Y., Duh, C.Y., Fang, L.S., Soong, K., Lee, T.J. J Nat Prod (1996) 59, 935-8
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) | 44.73 |
| 2 (CH) | 74.87 |
| 3 (CH2) | 32.5 |
| 4 (CH2) | 26.98 |
| 5 (C) | 146.18 |
| 6 (CH) | 118.15 |
| 7 (CH) | 74.55 |
| 8 (C) | 70.69 |
| 9 (CH) | 68.8 |
| 10 (CH) | 43.59 |
| 11 (C) | 133.46 |
| 12 (CH) | 120.74 |
| 13 (CH2) | 28.63 |
| 14 (CH) | 73.48 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 26.32 |
| 17 (C) | 63.35 |
| 18 (CH3) | 9.74 |
| 19 (C) | 170.54 |
| 20 (CH3) | 24.47 |
| 2a (C) | 168.87 |
| 2b (CH3) | 21.17 |
| 9a (C) | 171.09 |
| 9b (CH3) | 21.32 |
| 14a (C) | 21.43 |
| 14b (CH3) | 171.2 |
