Spektraris NMR
Fomitoside D
Common Name: Fomitoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,29+,30-,32+,34-,35-,36+/m1/s1
InChIKey: InChIKey=CLWQVULZKKQARP-CSAJRJIWSA-N
Formula: C36H56O7
Molecular Weight: 600.827009
Exact Mass: 600.402604
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) | 36.1 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 27.2 |
| 8 (C) | 135 |
| 9 (C) | 133.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 29 |
| 13 (C) | 44.9 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 47.6 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 18.7 |
| 20 (CH) | 48.4 |
| 21 (C) | 175.9 |
| 22 (CH2) | 32 |
| 23 (CH2) | 32.2 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 24.5 |
| 1' (CH) | 96.4 |
| 2' (CH) | 73.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 70.9 |
| 5' (CH2) | 68.1 |
| 24a (CH2) | 107.3 |
