Spektraris NMR
Bisacutifolone C
Common Name: Bisacutifolone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O6/c1-17-12-14-29(5)20(4)23(16-24(33)31(17,29)27(35)37-7)22-11-9-10-21-19(3)30(6)15-13-18(2)32(30,28(36)38-8)26(34)25(21)22/h16-20,22H,9-15H2,1-8H3/t17-,18+,19-,20-,22+,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=YHAMPUKPFZHPOZ-VRSMQLGGSA-N
Formula: C32H44O6
Molecular Weight: 524.689371
Exact Mass: 524.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hashimoto, T., Irita, H., Tanaka, M., Takaoka, S., Asakawa, Y. Phytochemistry (2000) 53, 593-604
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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 (CH) | 41.1 |
| 2 (CH2) | 30.9 |
| 3 (CH2) | 36.3 |
| 4 (CH) | 40.9 |
| 5 (C) | 169.5 |
| 6 (CH) | 124.1 |
| 7 (C) | 195.5 |
| 8 (C) | 69.6 |
| 9 (C) | 52.4 |
| 10 (CH) | 36.6 |
| 11 (CH2) | 27.7 |
| 12 (C) | 171.4 |
| 13 (CH3) | 14.5 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 13.3 |
| 1' (CH) | 43.1 |
| 2' (CH2) | 31.3 |
| 3' (CH2) | 40.1 |
| 4' (CH) | 42.8 |
| 5' (C) | 159.6 |
| 6' (C) | 132.1 |
| 7' (C) | 194.1 |
| 8' (C) | 67.9 |
| 9' (C) | 49.6 |
| 10' (CH2) | 30 |
| 11' (CH2) | 18.3 |
| 12' (C) | 171.4 |
| 13' (CH3) | 13.9 |
| 14' (CH3) | 22.1 |
| 15' (CH3) | 16.1 |
| 12a (CH3) | 51 |
| 12'a (CH3) | 50.9 |
