Spektraris NMR
Inorolide C
Common Name: Inorolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-16(28)31-24-18-7-8-22-26(4,12-9-21-25(2,3)10-6-11-27(21,22)5)19(18)14-20(32-24)17-13-23(29)30-15-17/h13,18-22,24H,6-12,14-15H2,1-5H3/t18-,19+,20-,21-,22-,24+,26-,27-/m0/s1
InChIKey: InChIKey=XTASEAOBWAFIBU-KRUZPSIPSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
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) | 18.4 |
| 3 (CH2) | 40.4 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 42.1 |
| 8 (C) | 37.6 |
| 9 (CH) | 59.5 |
| 10 (C) | 37.6 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 37.5 |
| 14 (CH) | 46.3 |
| 15 (CH2) | 27.8 |
| 16 (CH) | 68.2 |
| 17 (C) | 169.6 |
| 18 (CH) | 114.8 |
| 19 (C) | 173.3 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.4 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 14.6 |
| 24 (CH) | 93.5 |
| 25 (CH2) | 70.9 |
| 24a (C) | 169.6 |
| 24b (CH3) | 21 |
