(1S,4aR,5S,8aR)-5-[(E)-4-hydroxy-3-methyl-4-oxobut-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

(1S,4aR,5S,8aR)-5-[(E)-4-hydroxy-3-methyl-4-oxobut-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Common Name: (1S,4aR,5S,8aR)-5-[(E)-4-hydroxy-3-methyl-4-oxobut-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Synonyms: (1S,4aR,5S,8aR)-5-[(E)-4-hydroxy-3-methyl-4-oxobut-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/b13-6+/t14-,15+,18+,19-/m0/s1

InChIKey: InChIKey=JXHQWTYFUSHCGX-LLIRKGQASA-N

Formula: C19H28O4

Molecular Weight: 320.423943

Exact Mass: 320.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Minami, T., Wada, S., Tokuda, H., Tanabe, G., Muraoka, O., Tanaka, R. J Nat Prod (2002) 65, 1921-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.3
2 (CH2) 19.9
3 (CH2) 37.9
4 (C) 44.2
5 (CH) 56.1
6 (CH2) 25.7
7 (CH2) 38.3
8 (C) 147.6
9 (CH) 55.8
10 (C) 40.3
11 (CH2) 24.4
12 (CH) 146.5
13 (C) 126.3
14 (C) 172.9
16 (CH3) 12.2
17 (CH2) 107.8
18 (CH3) 29
19 (C) 183.3
20 (CH3) 12.9