Spektraris NMR
Phyllofolactone I
Common Name: Phyllofolactone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O5/c1-8-28(4)13-9-14-29(5)21(28)12-15-30(6)22-11-10-20-19(3)35-27(34)26(20)31(22,7)24(17-23(29)30)36-25(33)16-18(2)32/h18-19,21-24,32H,8-17H2,1-7H3/t18?,19-,21+,22+,23-,24+,28+,29+,30+,31-/m1/s1
InChIKey: InChIKey=YKTARPGVJCHEQJ-PVIJJXDUSA-N
Formula: C31H48O5
Molecular Weight: 500.710994
Exact Mass: 500.350175
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 |
| 2 (CH2) | 18 |
| 3 (CH2) | 36.5 |
| 4 (C) | 36.1 |
| 5 (CH) | 58.7 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.7 |
| 8 (C) | 37.5 |
| 9 (CH) | 53.5 |
| 10 (C) | 37 |
| 11 (CH2) | 20.9 |
| 12 (CH) | 74.6 |
| 13 (C) | 38.4 |
| 14 (CH) | 51.4 |
| 15 (CH2) | 17 |
| 16 (CH2) | 24.4 |
| 17 (C) | 164.3 |
| 18 (C) | 132.6 |
| 19 (CH3) | 28.5 |
| 20 (CH2) | 24.5 |
| 21 (CH3) | 16.6 |
| 22 (CH3) | 16.7 |
| 23 (CH3) | 21.2 |
| 24 (CH) | 78.1 |
| 25 (C) | 171.3 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 8.6 |
| 12a (C) | 171.4 |
| 12b (CH2) | 43.4 |
| 12c (CH) | 64.3 |
| 12d (CH3) | 22.3 |
