Spektraris NMR
Fornicatin B
Common Name: Fornicatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-15(2)18-13-19(28)24-23(25(18,4)11-10-22(32)33)20(29)14-27(6)17(9-12-26(24,27)5)16(3)7-8-21(30)31/h16-19,28H,1,7-14H2,2-6H3,(H,30,31)(H,32,33)/t16-,17-,18+,19+,25+,26+,27-/m1/s1
InChIKey: InChIKey=YXVYBSGFMJBSQD-YDTNFRICSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Niu, X.M., Qiu, M.H., Li, Z.R., Lu, Y., Cao, P., Zheng, Q.T. Tetrahedron Lett (2004) 45, 2989-93
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) | 33 |
| 2 (CH2) | 30.6 |
| 3 (C) | 178 |
| 4 (C) | 147.1 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 35.4 |
| 7 (CH) | 69 |
| 8 (C) | 166.8 |
| 9 (C) | 138.6 |
| 10 (C) | 41.9 |
| 11 (C) | 202.9 |
| 12 (CH2) | 52.6 |
| 13 (C) | 48.2 |
| 14 (C) | 54.2 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 50.9 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 22.5 |
| 20 (CH) | 37.1 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 32 |
| 24 (C) | 177.7 |
| 28 (CH2) | 115.9 |
| 29 (CH3) | 23.5 |
| 30 (CH3) | 27.8 |
