(E)-3-Methyl-5-[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalene-1beta-yl]-2-pentenoic acid methyl ester

(E)-3-Methyl-5-[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalene-1beta-yl]-2-pentenoic acid methyl ester

Common Name: (E)-3-Methyl-5-[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalene-1beta-yl]-2-pentenoic acid methyl ester

Synonyms: (E)-3-Methyl-5-[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalene-1beta-yl]-2-pentenoic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H32O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h11-12,15,18H,7-10,13H2,1-6H3/b14-11+/t15-,18-,20+,21+/m1/s1

InChIKey: InChIKey=SABQHVWRNLPVTQ-ZQTZVFAOSA-N

Formula: C21H32O3

Molecular Weight: 332.477773

Exact Mass: 332.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, S.M., Wu, S.H., Qin, X.D., Luo, X.D., Wu, D.G. Helv Chim Acta (2004) 87, 1279-86

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 34.9
2 (C) 200
3 (CH) 125.5
4 (C) 172.4
5 (C) 39.8
6 (CH2) 35.5
7 (CH2) 26.8
8 (CH) 36
9 (C) 38.7
10 (CH) 45.6
11 (CH2) 35.5
12 (CH2) 34
13 (C) 160.4
14 (CH) 115.1
15 (C) 167.1
16 (CH3) 19.1
17 (CH3) 15.7
18 (CH3) 19
19 (CH3) 18.3
20 (CH3) 17.8
15a (CH3) 50.8