Spektraris NMR
Decipinone C
Common Name: Decipinone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-9-10-22(34)40-26-23-24(39-18(6)32)16(4)13-29(23,41-19(7)33)30(36)27(8,35)25-20(15(2)3)11-12-21(38-17(5)31)28(25,26)14-37-30/h11-12,16,20-21,23-26,35-36H,2,9-10,13-14H2,1,3-8H3/t16-,20+,21+,23+,24-,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VXHTYGQIFIXFHV-JIINQYCOSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zahid, M., Husani, S.R., Abbas, M., Pan, Y.J., Jassbi, A.R., Asim, M., Parvez, M., Voelter, W., Ahmad, V.U. Helv Chim Acta (2001) 84, 1980-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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 (CH2) | 38.3 |
| 2 (CH) | 33.2 |
| 3 (CH) | 72.9 |
| 4 (CH) | 54.5 |
| 5 (CH) | 72.3 |
| 6 (C) | 45.9 |
| 7 (CH) | 66.2 |
| 8 (CH) | 127.3 |
| 9 (CH) | 137.6 |
| 10 (C) | 147.6 |
| 11 (CH) | 40.7 |
| 12 (CH) | 40.9 |
| 13 (C) | 77.6 |
| 14 (C) | 98.6 |
| 15 (C) | 96.8 |
| 16 (CH3) | 16.1 |
| 17 (CH2) | 66.2 |
| 18 (CH2) | 110.6 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 22.5 |
| 3a (C) | 174.2 |
| 3b (CH3) | 22.1 |
| 5a (C) | 171.3 |
| 5b (CH2) | 36.1 |
| 5c (CH2) | 18.3 |
| 5d (CH3) | 13.7 |
| 7a (C) | 171 |
| 7b (CH3) | 20.8 |
| 15a (C) | 170.2 |
| 15b (CH3) | 20.8 |
