3-Methoxy-4-hydroxybenzoic acid [(3aR)-1-isopropyl-3a-methyl-2,3,3a,4,7,8-hexahydroazulene-6-yl]methyl ester

3-Methoxy-4-hydroxybenzoic acid [(3aR)-1-isopropyl-3a-methyl-2,3,3a,4,7,8-hexahydroazulene-6-yl]methyl ester

Common Name: 3-Methoxy-4-hydroxybenzoic acid [(3aR)-1-isopropyl-3a-methyl-2,3,3a,4,7,8-hexahydroazulene-6-yl]methyl ester

Synonyms: 3-Methoxy-4-hydroxybenzoic acid [(3aR)-1-isopropyl-3a-methyl-2,3,3a,4,7,8-hexahydroazulene-6-yl]methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H30O4/c1-15(2)18-10-12-23(3)11-9-16(5-7-19(18)23)14-27-22(25)17-6-8-20(24)21(13-17)26-4/h6,8-9,13,15,24H,5,7,10-12,14H2,1-4H3/t23-/m0/s1

InChIKey: InChIKey=YOVPRFXHMJHUMZ-QHCPKHFHSA-N

Formula: C23H30O4

Molecular Weight: 370.482768

Exact Mass: 370.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Galal, A.M., Abourashed, E.A., Ross, S.A., ElSohly, M.A., Al-Said, M.S., El-Feraly, F.S. J Nat Prod (2001) 64, 399-400

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) 49.2
2 (CH2) 39.1
3 (CH2) 30.2
4 (C) 141.3
5 (C) 139.4
6 (CH2) 23.2
7 (CH2) 27.5
8 (C) 138.4
9 (CH) 128.6
10 (CH2) 40.7
11 (CH) 26.8
12 (CH3) 21.6
13 (CH3) 22.3
14 (CH2) 70.7
15 (CH3) 23.6
1' (C) 122.5
2' (CH) 114.5
3' (C) 146.2
4' (C) 150
5' (CH) 112.2
6' (CH) 124.5
7' (C) 166.3
3'b (CH3) 56.5