Spektraris NMR
Phyllolactone D
Common Name: Phyllolactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-9-26(34)38-24-14-16-30(6)21(29(24,5)10-2)13-15-31(7)22-12-11-20-18(3)36-28(35)27(20)32(22,8)25(17-23(30)31)37-19(4)33/h18,21-25H,9-17H2,1-8H3/t18-,21-,22-,23+,24+,25-,29+,30-,31-,32+/m0/s1
InChIKey: InChIKey=FOJBYUBLLYNGHS-MWWPZRBSSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chang, L.C., Otero-Quintero, S., Nicholas, G.M., Bewley, C.A. Tetrahedron (2001) 57, 5731-8
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) | 34.6 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 76 |
| 4 (C) | 39.8 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 42.9 |
| 8 (C) | 38.2 |
| 9 (CH) | 54.5 |
| 10 (C) | 38.8 |
| 11 (CH2) | 21.2 |
| 12 (CH) | 76.1 |
| 13 (C) | 41 |
| 14 (CH) | 52.7 |
| 15 (CH2) | 18 |
| 16 (CH2) | 25.4 |
| 17 (C) | 167.7 |
| 18 (C) | 133.3 |
| 19 (CH3) | 18 |
| 20 (CH2) | 32.7 |
| 21 (CH3) | 17.9 |
| 22 (CH3) | 16.9 |
| 23 (CH3) | 22 |
| 24 (CH) | 80 |
| 25 (C) | 174.9 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 7.7 |
| 3a (C) | 174.4 |
| 3b (CH2) | 29.2 |
| 3c (CH3) | 9.9 |
| 12a (C) | 171.9 |
| 12b (CH3) | 21.8 |
