Spektraris NMR
Fomitoside I
Common Name: Fomitoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O8/c1-20(2)9-8-10-21(31(42)44-32-30(41)29(40)28(39)25(19-37)43-32)22-13-17-36(7)24-11-12-26-33(3,4)27(38)15-16-34(26,5)23(24)14-18-35(22,36)6/h9,21-22,25-30,32,37-41H,8,10-19H2,1-7H3/t21-,22-,25-,26+,27+,28-,29+,30-,32+,34-,35-,36+/m1/s1
InChIKey: InChIKey=PWWSRMQRHVOIKE-BCAWIUIXSA-N
Formula: C36H58O8
Molecular Weight: 618.842295
Exact Mass: 618.413169
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) | 36.3 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.8 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 19 |
| 7 (CH2) | 27.1 |
| 8 (C) | 135.2 |
| 9 (C) | 134.1 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 29.3 |
| 13 (C) | 45.2 |
| 14 (C) | 50 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 47.9 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 48.8 |
| 21 (C) | 175.8 |
| 22 (CH2) | 33.8 |
| 23 (CH2) | 26.8 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.9 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 24.7 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74.2 |
| 3' (CH) | 79.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 79.2 |
| 6' (CH2) | 62.7 |
