Moluccanic acid methyl

Moluccanic acid methyl

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)

Carbon NMR Peaks

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