Common Name: Moluccanic acid methyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O3/c1-12(2)15-8-6-13-5-7-14(19)11-16(13)18(15,3)10-9-17(20)21-4/h5,7,11,15,19H,1,6,8-10H2,2-4H3/t15-,18-/m1/s1
InChIKey: InChIKey=CXVHHDVCWSQUTF-CRAIPNDOSA-N
Formula: C18H24O3
Molecular Weight: 288.382039
Exact Mass: 288.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H., Di, Y., Yang, J., Teng, F., Lu, Y., Ni, W., Chen, C., Hao, X. Tetrahedron Lett (2008) 49, 5150-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 34.6 |
2 (CH2) | 29.4 |
3 (C) | 174.8 |
4 (C) | 146.6 |
5 (CH) | 47.1 |
6 (CH2) | 24.7 |
7 (CH2) | 29.5 |
8 (C) | 129.1 |
9 (C) | 144.5 |
10 (C) | 41 |
11 (CH) | 112.9 |
12 (C) | 154 |
13 (CH) | 113.3 |
14 (CH) | 130.1 |
18 (CH3) | 22.8 |
19 (CH2) | 114.3 |
20 (CH3) | 27.7 |
3a (CH3) | 51.6 |