Spektraris NMR
Phyllofenone C
Common Name: Phyllofenone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-9-29(5)12-10-13-30(6)24(29)11-14-31(7)25-16-23(35)22(20(3)33)18-32(25,8)27(17-26(30)31)38-28(36)15-19(2)37-21(4)34/h18-19,23-27,35H,9-17H2,1-8H3/t19?,23-,24+,25+,26-,27+,29+,30+,31+,32-/m1/s1
InChIKey: InChIKey=VDRUYLBWRJLWEF-DMRFGXGMSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jimenez, J.I., Yoshida, W.Y., Scheuer, P.J., Kelly, M. J Nat Prod (2000) 63, 1388-92
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 40.1 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 36.6 |
| 4 (C) | 36.2 |
| 5 (CH) | 58.6 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 41 |
| 8 (C) | 37.1 |
| 9 (CH) | 53.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22.2 |
| 12 (CH) | 76.7 |
| 13 (C) | 41.2 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 24 |
| 16 (CH) | 65.1 |
| 17 (C) | 134.9 |
| 18 (CH) | 153 |
| 19 (CH3) | 28.4 |
| 20 (CH2) | 24.5 |
| 21 (CH3) | 17 |
| 22 (CH3) | 16.7 |
| 23 (CH3) | 19.8 |
| 24 (C) | 197.6 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 8.6 |
| 12a (C) | 171.9 |
| 12b (CH2) | 43.7 |
| 12c (CH) | 64.6 |
| 12d (CH3) | 22.8 |
| 12e (C) | 170.1 |
| 12f (CH3) | 21.2 |
