Common Name: Methyl 15-aceloxy-1(1O)-ent-halimadien-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O4/c1-16(12-15-27-18(3)24)11-14-22(4)17(2)9-10-20-19(22)8-7-13-23(20,5)21(25)26-6/h8,16-17,20H,7,9-15H2,1-6H3/t16?,17-,20?,22+,23+/m1/s1
InChIKey: InChIKey=QRTYKWKFBWMQFE-CMEBREIISA-N
Formula: C23H38O4
Molecular Weight: 378.546294
Exact Mass: 378.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Sexmero, M.J., Carrillo, H., Melchor, M.J. Phytochemistry (1994) 37, 1359-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) | 119.4 |
2 (CH2) | 22.9 |
3 (CH2) | 30.9 |
4 (C) | 45 |
5 (CH) | 38.3 |
6 (CH2) | 23 |
7 (CH2) | 28.5 |
8 (CH) | 38.5 |
9 (C) | 42.9 |
10 (C) | 141.7 |
11 (CH2) | 36.7 |
12 (CH2) | 31 |
13 (CH) | 30.7 |
14 (CH2) | 35.8 |
15 (CH2) | 63.2 |
16 (CH3) | 19.7 |
17 (CH3) | 15.6 |
18 (C) | 178.5 |
19 (CH3) | 19.8 |
20 (CH3) | 22.5 |
15a (C) | 171.5 |
15b (CH3) | 21 |
18a (CH3) | 51.6 |