Methyl 15-aceloxy-1(1O)-ent-halimadien-18-oate

Methyl 15-aceloxy-1(1O)-ent-halimadien-18-oate

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)

Carbon NMR Peaks

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