(E)-3-Methyl-2-pentenoic acid [(3aalpha,7abeta)-1beta-[(R)-1-hydroxyethyl]octahydro-4-methylene-7beta-(1-methylethyl)-2-oxo-1H-inden]-5alpha-yl ester

(E)-3-Methyl-2-pentenoic acid [(3aalpha,7abeta)-1beta-[(R)-1-hydroxyethyl]octahydro-4-methylene-7beta-(1-methylethyl)-2-oxo-1H-inden]-5alpha-yl ester

Common Name: (E)-3-Methyl-2-pentenoic acid [(3aalpha,7abeta)-1beta-[(R)-1-hydroxyethyl]octahydro-4-methylene-7beta-(1-methylethyl)-2-oxo-1H-inden]-5alpha-yl ester

Synonyms: (E)-3-Methyl-2-pentenoic acid [(3aalpha,7abeta)-1beta-[(R)-1-hydroxyethyl]octahydro-4-methylene-7beta-(1-methylethyl)-2-oxo-1H-inden]-5alpha-yl ester

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+/t14-,15+,16+,18-,20+,21+/m1/s1

InChIKey: InChIKey=AIZCSTFUIXPHFD-OCHUNZHGSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yaoita, Y., Suzuki, N., Kikuchi, M. Chem Pharm Bull (2001) 49, 645-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Oplopanes; 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) 42.6
2 (CH2) 42.2
3 (C) 221.4
4 (CH) 68.5
5 (CH) 60.2
6 (CH) 49.3
7 (CH) 44.2
8 (CH2) 31.3
9 (CH) 73
10 (C) 146
11 (CH) 28.3
12 (CH3) 21.4
13 (CH3) 15.3
14 (CH2) 110.1
15 (CH3) 18.9
9a (C) 165.9
9b (CH) 114.6
9c (C) 162.1
9d (CH2) 33.8
9e (CH3) 11.9
9ca (CH3) 18.9