(1S)-1,5,6alpha-Trimethyl-5beta-[(E)-3-methyl-5-[(1-oxopropyl)oxy]-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

(1S)-1,5,6alpha-Trimethyl-5beta-[(E)-3-methyl-5-[(1-oxopropyl)oxy]-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

Common Name: (1S)-1,5,6alpha-Trimethyl-5beta-[(E)-3-methyl-5-[(1-oxopropyl)oxy]-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

Synonyms: (1S)-1,5,6alpha-Trimethyl-5beta-[(E)-3-methyl-5-[(1-oxopropyl)oxy]-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C24H38O4/c1-7-21(25)28-16-13-17(2)12-15-23(4)18(3)10-11-20-19(23)9-8-14-24(20,5)22(26)27-6/h9,13,18,20H,7-8,10-12,14-16H2,1-6H3/b17-13+/t18-,20+,23+,24+/m1/s1

InChIKey: InChIKey=KJFKVFSPBVQKJL-WTHAQOGCSA-N

Formula: C24H38O4

Molecular Weight: 390.55703

Exact Mass: 390.27701

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) 119.8
2 (CH2) 22.9
3 (CH2) 30.7
4 (C) 45
5 (CH) 38.5
6 (CH2) 23
7 (CH2) 28.5
8 (CH) 38.5
9 (C) 42.9
10 (C) 141.4
11 (CH2) 37.8
12 (CH2) 34.1
13 (C) 143.4
14 (CH) 118
15 (CH2) 61.4
16 (CH3) 16.9
17 (CH3) 15.6
18 (C) 178.4
19 (CH3) 20
20 (CH3) 22.4
15a (C) 175
15b (CH2) 27.9
15c (CH3) 9.17
18a (CH3) 51.8