Spektraris NMR
Phyllolactone A
Common Name: Phyllolactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O5/c1-8-10-25(33)36-24-14-16-29(5)20(28(24,4)9-2)13-15-30(6)21-12-11-19-18(3)35-27(34)26(19)31(21,7)23(32)17-22(29)30/h18,20-24,32H,8-17H2,1-7H3/t18-,20-,21-,22+,23-,24+,28+,29-,30-,31+/m0/s1
InChIKey: InChIKey=XUWJYWCCEJGDRF-CIITUREPSA-N
Formula: C31H48O5
Molecular Weight: 500.710994
Exact Mass: 500.350175
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) | 34.4 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 76.3 |
| 4 (C) | 39.8 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 42.9 |
| 8 (C) | 38.3 |
| 9 (CH) | 53.2 |
| 10 (C) | 38.9 |
| 11 (CH2) | 25.6 |
| 12 (CH) | 71.3 |
| 13 (C) | 41.1 |
| 14 (CH) | 51 |
| 15 (CH2) | 18.1 |
| 16 (CH2) | 25.4 |
| 17 (C) | 167.3 |
| 18 (C) | 134.4 |
| 19 (CH3) | 17.9 |
| 20 (CH2) | 32.7 |
| 21 (CH3) | 17.9 |
| 22 (CH3) | 17.2 |
| 23 (CH3) | 22.1 |
| 24 (CH) | 79.8 |
| 25 (C) | 174.9 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 7.8 |
| 3a (C) | 174.4 |
| 3b (CH2) | 37.8 |
| 3c (CH2) | 19.8 |
| 3d (CH3) | 14.2 |
