Spektraris NMR
Fomitoside B
Common Name: Fomitoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O8/c1-19(2)24(36)10-8-20(30(41)43-31-29(40)28(39)25(37)18-42-31)21-12-16-35(7)23-9-11-26-32(3,4)27(38)14-15-33(26,5)22(23)13-17-34(21,35)6/h20-21,24-26,28-29,31,36-37,39-40H,1,8-18H2,2-7H3/t20-,21-,24+,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1
InChIKey: InChIKey=GJVCIBWZBCDVEX-JZCIFGPDSA-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) | 36.4 |
| 2 (CH2) | 35 |
| 3 (C) | 216.2 |
| 4 (C) | 47.6 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 19 |
| 7 (CH2) | 26.8 |
| 8 (C) | 135.2 |
| 9 (C) | 133.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 29.3 |
| 13 (C) | 45.2 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 48 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 19.9 |
| 20 (CH) | 49 |
| 21 (C) | 176 |
| 22 (CH2) | 29.7 |
| 23 (CH2) | 33.8 |
| 24 (CH) | 75.5 |
| 25 (C) | 150 |
| 26 (CH2) | 110.5 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.8 |
| 1' (CH) | 96.6 |
| 2' (CH) | 74 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 68.3 |
