Spektraris NMR
Briaexcavatins P
Common Name: Briaexcavatins P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-11-9-19-28(27(8,41-28)25(35)40-19)23(38-15(5)31)20-12(2)17(33)10-18(36-13(3)29)26(20,7)24(39-16(6)32)21(34)22(11)37-14(4)30/h9,12,17-24,33-34H,10H2,1-8H3/b11-9-/t12-,17-,18-,19-,20+,21-,22+,23-,24-,26-,27+,28-/m0/s1
InChIKey: InChIKey=XZIFPZJIAUXVRY-YKDGPBFVSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
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) | 43.2 |
| 2 (CH) | 87.9 |
| 3 (CH) | 73.6 |
| 4 (CH) | 66.9 |
| 5 (C) | 139.9 |
| 6 (CH) | 123.3 |
| 7 (CH) | 74.2 |
| 8 (C) | 70.8 |
| 9 (CH) | 66.2 |
| 10 (CH) | 40.5 |
| 11 (CH) | 37 |
| 12 (CH) | 66.7 |
| 13 (CH2) | 30.3 |
| 14 (CH) | 80.5 |
| 15 (CH3) | 18.6 |
| 16 (CH3) | 17.1 |
| 17 (C) | 62.4 |
| 18 (CH3) | 10.3 |
| 19 (C) | 170.8 |
| 20 (CH3) | 8.9 |
| 2a (C) | 172.5 |
| 2b (CH3) | 21.1 |
| 4a (C) | 169.8 |
| 4b (CH3) | 20.7 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.5 |
| 14a (C) | 170 |
| 14b (CH3) | 21.2 |
