(1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

(1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

Common Name: (1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

Synonyms: (1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

CAS Registry Number:

InChI: InChI=1S/C25H34O5/c1-9-15(5)23(27)29-21-12-22(30-24(28)16(6)10-2)19-11-20(26)18(14(3)4)13-25(19,8)17(21)7/h9-11,17,21-22H,12-13H2,1-8H3/b15-9-,16-10-/t17-,21-,22+,25+/m0/s1

InChIKey: InChIKey=JLWLTGDPOZAAAS-LFVPMXKCSA-N

Formula: C25H34O5

Molecular Weight: 414.535408

Exact Mass: 414.240624

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) 71.1
2 (CH2) 34
3 (CH) 71.4
4 (CH) 43.3
5 (C) 40
6 (CH2) 42.6
7 (C) 127.5
8 (C) 191.6
9 (CH) 131.7
10 (C) 159.1
11 (C) 145.4
12 (CH3) 22.5
13 (CH3) 22.8
14 (CH3) 19.2
15 (CH3) 11.8
1a (C) 167.5
1b (C) 127.3
1c (CH) 139.1
1d (CH3) 15.6
1e (CH3) 20.6
3a (C) 166.5
3b (C) 127.9
3c (CH) 138.4
3d (CH3) 15.6
3e (CH3) 20.3