Spektraris NMR
Fomitopsin B methyl ester
Common Name: Fomitopsin B methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H50O7/c1-19-18-35(21(3)20(2)30(38)42-35)41-27-16-24-23(33(7)15-12-22(19)34(27,33)8)10-11-25-31(4,5)26(13-14-32(24,25)6)40-29(37)17-28(36)39-9/h19,22,25-27H,10-18H2,1-9H3/t19-,22-,25+,26-,27-,32-,33+,34+,35+/m1/s1
InChIKey: InChIKey=IWDQHBQBZVCITN-WFUJVBNPSA-N
Formula: C35H50O7
Molecular Weight: 582.768629
Exact Mass: 582.355654
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quang, D.N., Arakawa, Y., Hashimoto, T., Asakawa, Y. Phytochemistry (2005) 66, 1656-61
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) | 30.9 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 79.5 |
| 4 (C) | 36.8 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 25.6 |
| 8 (C) | 133.8 |
| 9 (C) | 135 |
| 10 (C) | 36.8 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 77.1 |
| 13 (C) | 52.8 |
| 14 (C) | 49.6 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 23.6 |
| 17 (CH) | 43 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 28.7 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 42.7 |
| 23 (C) | 107.4 |
| 24 (C) | 161.5 |
| 25 (C) | 120.9 |
| 26 (C) | 173.3 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.7 |
| 3a (C) | 166 |
| 3b (CH2) | 41.8 |
| 3c (C) | 167.2 |
| 3ca (CH3) | 52.3 |
| 24a (CH3) | 10.9 |
