Common Name: 18-Episcalaradial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey: InChIKey=ADWFEADZGIHPDE-XPLKLAHXSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Carballo, J.L., Salva, J. J Org Chem (1997) 62, 1481-5
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)
Position | PPM |
---|---|
1 (CH2) | 39.6 |
2 (CH2) | 18.4 |
3 (CH2) | 42 |
4 (C) | 33.3 |
5 (CH) | 56.4 |
6 (CH2) | 18 |
7 (CH2) | 41.3 |
8 (C) | 36.8 |
9 (CH) | 52.3 |
10 (C) | 37.8 |
11 (CH2) | 22.4 |
12 (CH) | 76.9 |
13 (C) | 41.9 |
14 (CH) | 45.2 |
15 (CH2) | 25.1 |
16 (CH) | 152.8 |
17 (C) | 136 |
18 (CH) | 56.5 |
19 (CH3) | 33.2 |
20 (CH3) | 21.3 |
21 (CH3) | 16.2 |
22 (CH3) | 16.4 |
23 (CH3) | 21.8 |
24 (CH) | 191.5 |
25 (CH) | 195.9 |
12a (C) | 169.4 |
12b (CH3) | 21.3 |