3α-Methoxy-1,15-valparadiene

3α-Methoxy-1,15-valparadiene

Common Name: 3α-Methoxy-1,15-valparadiene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O/c1-15(2)16-7-12-21(5)17(16)8-10-19(3)13-14-20(4,22-6)11-9-18(19)21/h13-14,16-18H,1,7-12H2,2-6H3/t16-,17+,18+,19+,20-,21+/m0/s1

InChIKey: InChIKey=HIWSHDXGKWEPIX-LDIYZUBKSA-N

Formula: C21H34O1

Molecular Weight: 302.494844

Exact Mass: 302.260966

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Phytochemistry (1993) 34, 747-50

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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) 130.9
2 (CH) 144.3
3 (C) 78.1
4 (CH2) 37.9
5 (CH2) 24.9
6 (CH) 57.1
7 (C) 46.8
8 (CH) 54.8
9 (CH2) 23.4
10 (CH2) 44.8
11 (C) 40.5
12 (CH2) 41.6
13 (CH2) 27.5
14 (CH) 46.5
15 (C) 148.4
16 (CH2) 110.3
17 (CH3) 23.4
18 (CH3) 16.2
19 (CH3) 27.2
20 (CH3) 21.2
3a (CH3) 50