Spektraris NMR
12-O-acetyl-16-Odeacetyldeacetyl-12,l6-episcahrolbute
Common Name: 12-O-acetyl-16-Odeacetyldeacetyl-12,l6-episcahrolbute
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-15(28)31-21-14-19-25(4)10-7-9-24(2,3)18(25)8-11-26(19,5)20-13-17(29)16-12-22(30)32-23(16)27(20,21)6/h12,17-21,23,29H,7-11,13-14H2,1-6H3/t17-,18-,19+,20-,21-,23-,25-,26+,27+/m0/s1
InChIKey: InChIKey=TUHLUXIESILORF-RAPLLIMHSA-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 : Scalaranes; 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) | 39.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 42.1 |
| 8 (C) | 36.9 |
| 9 (CH) | 52.1 |
| 10 (C) | 38 |
| 11 (CH2) | 21.6 |
| 12 (CH) | 76.6 |
| 13 (C) | 43.9 |
| 14 (CH) | 47.1 |
| 15 (CH2) | 31.2 |
| 16 (CH) | 68.3 |
| 17 (C) | 172.1 |
| 18 (CH) | 82.1 |
| 19 (C) | 173.1 |
| 20 (CH) | 112.2 |
| 21 (CH3) | 33.3 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.1 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 12 |
| 12a (C) | 169.3 |
| 12b (CH3) | 21.3 |
