Spektraris NMR
Fornicatin A
Common Name: Fornicatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1
InChIKey: InChIKey=IABFUGDOHOVCEJ-MHSARYRJSA-N
Formula: C27H40O7
Molecular Weight: 476.603334
Exact Mass: 476.277404
NMR Solvent: C5D5N
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) | 38 |
| 2 (CH2) | 29.6 |
| 3 (C) | 176.4 |
| 4 (C) | 87.3 |
| 5 (CH) | 48 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 72.9 |
| 8 (C) | 161.4 |
| 9 (C) | 135.4 |
| 10 (C) | 41.6 |
| 11 (C) | 199.8 |
| 12 (CH2) | 50.9 |
| 13 (C) | 45.3 |
| 14 (C) | 50.9 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 50.2 |
| 18 (CH3) | 18 |
| 19 (CH3) | 25.5 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 31.9 |
| 23 (CH2) | 31.6 |
| 24 (C) | 176.4 |
| 28 (CH2) | 71.3 |
| 29 (CH3) | 25 |
| 30 (CH3) | 24.5 |
