(Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

(Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

Common Name: (Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

Synonyms: (Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-7-12(4)19(23)24-18-9-17(22)15-8-16(21)14(11(2)3)10-20(15,6)13(18)5/h7-8,13,17-18,22H,9-10H2,1-6H3/b12-7-/t13-,17+,18-,20+/m0/s1

InChIKey: InChIKey=JUCLLLHLIJXWKK-QIFLHGGXSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Arciniegas, A., Perez-Castorena, A.L., Reyes, S., Contreras, J.L., De Vivar, A.R. J Nat Prod (2003) 66, 225-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 71.7
2 (CH2) 36.1
3 (CH) 72.1
4 (CH) 43.7
5 (C) 39.8
6 (CH2) 43.1
7 (C) 127.5
8 (C) 191.6
9 (CH) 129.5
10 (C) 163.5
11 (C) 145.3
12 (CH3) 22.5
13 (CH3) 27.8
14 (CH3) 20.3
15 (CH3) 11.8
3a (C) 167
3b (C) 127.2
3c (CH) 139.6
3d (CH3) 15.7
3e (CH3) 20.8