Spektraris NMR
Fomitoside E
Common Name: Fomitoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23-,26-,27+,28-,29+,30-,32+,35-,36-,37+/m1/s1
InChIKey: InChIKey=SZJHDEBBAHZWAS-JYUDEBFNSA-N
Formula: C37H58O9
Molecular Weight: 646.852436
Exact Mass: 646.408083
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Inoue, M., Matsumoto, Y., Sakakibara, C., Miyataka, H., Matsumoto, H., Arihara, S. J Nat Prod (2005) 68, 69-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 31.1 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 78 |
| 4 (C) | 37.2 |
| 5 (CH) | 46 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 26.5 |
| 8 (C) | 134.2 |
| 9 (C) | 134.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 29.2 |
| 13 (C) | 45.2 |
| 14 (C) | 50 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 47.5 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 49.3 |
| 21 (C) | 175.4 |
| 22 (CH2) | 36.2 |
| 23 (CH) | 123.1 |
| 24 (CH) | 142.4 |
| 25 (C) | 70 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 24.7 |
| 1' (CH) | 96.4 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 68.2 |
| 3a (C) | 170 |
| 3b (CH3) | 21.1 |
