Spektraris NMR
Fomitoside A
Common Name: Fomitoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(40)43-30-28(39)27(38)24(36)19-42-30)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38-39,41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21-,24-,25+,27+,28-,30+,33-,34-,35+/m1/s1
InChIKey: InChIKey=BGFUPUXPMBXGKR-BICBMMJPSA-N
Formula: C35H54O8
Molecular Weight: 602.799797
Exact Mass: 602.381869
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) | 35 |
| 3 (C) | 216.1 |
| 4 (C) | 47.6 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 26.8 |
| 8 (C) | 135.1 |
| 9 (C) | 134.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 29.2 |
| 13 (C) | 45.2 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 47.6 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 19 |
| 20 (CH) | 49.4 |
| 21 (C) | 175 |
| 22 (CH2) | 36.4 |
| 23 (CH) | 123.1 |
| 24 (CH) | 142.5 |
| 25 (C) | 70 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.8 |
| 1' (CH) | 96.5 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 68.2 |
