Spektraris NMR
Inorolide B
Common Name: Inorolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-16(28)30-21-15-19-17(13-20-18(21)14-24(29)31-20)7-8-23-26(19,4)12-9-22-25(2,3)10-6-11-27(22,23)5/h13-14,17,19,21-23H,6-12,15H2,1-5H3/t17-,19-,21-,22+,23+,26+,27+/m1/s1
InChIKey: InChIKey=HDUHQRZQZSJHJW-TXPFAKEZSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miyamoto, T., Sakamoto, K., Amano, H., Arakawa, Y., Nagarekawa, Y., Komori, T., Higuchi, R., Sasaki, T. Tetrahedron (1999) 55, 9133-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 40 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 42 |
| 8 (C) | 37.8 |
| 9 (CH) | 59 |
| 10 (C) | 37.6 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 34.9 |
| 13 (CH) | 40 |
| 14 (CH) | 48.7 |
| 15 (CH2) | 30.3 |
| 16 (CH) | 65.7 |
| 17 (C) | 147 |
| 18 (CH) | 120.9 |
| 19 (C) | 168.6 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.4 |
| 22 (CH3) | 16.3 |
| 23 (CH3) | 14.8 |
| 24 (CH) | 123.4 |
| 25 (C) | 153.8 |
| 16a (C) | 169.9 |
| 16b (CH3) | 21.2 |
