Spektraris NMR
Polyalthidin Methyl ester
Common Name: Polyalthidin Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O4/c1-17(9-7-11-18(2)23(25)27-6)10-8-13-24(4)14-12-20-16-21(26-5)15-19(3)22(20)28-24/h7,10-11,15-16,18H,8-9,12-14H2,1-6H3/b11-7-,17-10+/t18?,24-/m1/s1
InChIKey: InChIKey=YZTNRQZIENTOHF-VRPCMVIRSA-N
Formula: C24H34O4
Molecular Weight: 386.525267
Exact Mass: 386.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - ZafraPolo, M.C., Gonzalez, M.C., Tormo, J.R., Estornell, E., Cortes, D. J Nat Prod (1996) 59, 913-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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) | 22.64 |
| 2 (CH2) | 31.4 |
| 3 (C) | 75.26 |
| 4 (CH2) | 39.61 |
| 5 (CH2) | 22.23 |
| 6 (CH) | 125.29 |
| 7 (C) | 133.67 |
| 8 (CH2) | 42.58 |
| 9 (CH) | 127.95 |
| 10 (CH) | 130.14 |
| 11 (CH) | 42.69 |
| 12 (CH3) | 17.4 |
| 13 (C) | 175.41 |
| 14 (CH3) | 15.86 |
| 15 (CH3) | 24.02 |
| 1' (C) | 145.98 |
| 2' (C) | 120.87 |
| 3' (CH) | 111 |
| 4' (C) | 152.14 |
| 5' (CH) | 114.75 |
| 6' (C) | 127.2 |
| 13a (CH3) | 51.76 |
| 4'a (CH3) | 55.62 |
| 6'a (CH3) | 16.19 |
