Spektraris NMR
Briaexcavatins N
Common Name: Briaexcavatins N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-12-10-19-26(25(7,37-26)22(31)36-19)21(35-15(4)29)20-23(5,18(11-16(12)30)34-14(3)28)9-8-17(24(20,6)32)33-13(2)27/h8-10,16-21,30,32H,11H2,1-7H3/b12-10-/t16-,17+,18+,19+,20-,21+,23-,24+,25-,26+/m1/s1
InChIKey: InChIKey=RRUCLRLOAKXNGT-RXLKNBIVSA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Lin, M.R., Hwang, T.L., Fan, T.Y., Su, W.C., Ho, C.C., Fang, L.S., Wang, W.H. Chem Pharm Bull (2008) 56, 930-5
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) | 77.8 |
| 3 (CH2) | 41.7 |
| 4 (CH) | 71.1 |
| 5 (C) | 147.8 |
| 6 (CH) | 122.1 |
| 7 (CH) | 73.4 |
| 8 (C) | 70.1 |
| 9 (CH) | 66.9 |
| 10 (CH) | 44 |
| 11 (C) | 73.4 |
| 12 (CH) | 73.4 |
| 13 (CH) | 120.4 |
| 14 (CH) | 142 |
| 15 (CH3) | 18.3 |
| 16 (CH3) | 25.7 |
| 17 (C) | 62.3 |
| 18 (CH3) | 9.7 |
| 19 (C) | 170.3 |
| 20 (CH3) | 27.8 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21 |
| 9a (C) | 169.2 |
| 9b (CH3) | 21.7 |
| 12a (C) | 169.3 |
| 12b (CH3) | 21.1 |
