Spektraris NMR
Fomitoside J
Common Name: Fomitoside J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O8/c1-20(2)21(3)9-10-22(32(43)45-33-31(42)30(41)29(40)26(19-38)44-33)23-13-17-37(8)25-11-12-27-34(4,5)28(39)15-16-35(27,6)24(25)14-18-36(23,37)7/h20,22-23,26-31,33,38-42H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,28+,29-,30+,31-,33+,35-,36-,37+/m1/s1
InChIKey: InChIKey=PUTIRHSSEJKJRE-YRGCHUOVSA-N
Formula: C37H60O8
Molecular Weight: 632.868913
Exact Mass: 632.428819
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) | 29 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.8 |
| 5 (CH) | 51.1 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 27.1 |
| 8 (C) | 135.4 |
| 9 (C) | 134.6 |
| 10 (C) | 37.7 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 29.4 |
| 13 (C) | 45.3 |
| 14 (C) | 50 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 47.9 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 19.8 |
| 20 (CH) | 48.8 |
| 21 (C) | 176 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 32.6 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.5 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22.3 |
| 28 (CH3) | 29 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 24.8 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74.2 |
| 3' (CH) | 79.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 79.2 |
| 6' (CH2) | 62.7 |
| 24a (CH2) | 107.2 |
