Spektraris NMR
Bisacutifolone B
Common Name: Bisacutifolone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O7/c1-16-11-13-29(5)18(3)21(15-23(34)31(16,29)27(36)38-7)20-9-10-22(33)24-19(4)30(6)14-12-17(2)32(30,28(37)39-8)26(35)25(20)24/h15-20,22,33H,9-14H2,1-8H3/t16-,17+,18-,19-,20+,22+,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=GKLVIAQLYSDWGM-SHUKUJGISA-N
Formula: C32H44O7
Molecular Weight: 540.688776
Exact Mass: 540.308704
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) | 40.8 |
| 2 (CH2) | 30.8 |
| 3 (CH2) | 36.2 |
| 4 (CH) | 40.6 |
| 5 (C) | 169.3 |
| 6 (CH) | 124.2 |
| 7 (C) | 195.7 |
| 8 (C) | 69.4 |
| 9 (C) | 52.4 |
| 10 (CH) | 37.2 |
| 11 (CH2) | 25 |
| 12 (C) | 171.2 |
| 13 (CH3) | 14.7 |
| 14 (CH3) | 19.4 |
| 15 (CH3) | 13.2 |
| 1' (CH) | 44.7 |
| 2' (CH2) | 31.6 |
| 3' (CH2) | 42.1 |
| 4' (CH) | 40 |
| 5' (C) | 159.3 |
| 6' (C) | 133.2 |
| 7' (C) | 195.4 |
| 8' (C) | 66.9 |
| 9' (C) | 48.1 |
| 10' (CH) | 65.6 |
| 11' (CH2) | 28.7 |
| 12' (C) | 171.3 |
| 13' (CH3) | 13.8 |
| 14' (CH3) | 24.1 |
| 15' (CH3) | 18.1 |
| 12a (CH3) | 51 |
| 12'a (CH3) | 51 |
