(4S,4aR)-4,4a,5,6,7,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-4beta,6beta-diol 6-[(2Z)-2-methyl-2-butenoate]

(4S,4aR)-4,4a,5,6,7,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-4beta,6beta-diol 6-[(2Z)-2-methyl-2-butenoate]

Common Name: (4S,4aR)-4,4a,5,6,7,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-4beta,6beta-diol 6-[(2Z)-2-methyl-2-butenoate]

Synonyms: (4S,4aR)-4,4a,5,6,7,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-4beta,6beta-diol 6-[(2Z)-2-methyl-2-butenoate]

CAS Registry Number:

InChI: InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6-/t13-,15-,18+,20+/m0/s1

InChIKey: InChIKey=UBSPYRWVKFNYNH-FXOXCMJQSA-N

Formula: C20H26O4

Molecular Weight: 330.418797

Exact Mass: 330.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Burgueno-Tapia, E., Lopez-Escobedo, S., Gonzalez-Ledesma, M., Joseph-Nathan, P. Magn Reson Chem (2007) 45, 457-62

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) 119.4
2 (CH2) 26.7
3 (CH) 70.4
4 (CH) 35
5 (C) 45.7
6 (CH) 71.5
7 (C) 119.6
8 (C) 149.8
9 (CH2) 30.9
10 (C) 136.9
11 (C) 120.6
12 (CH) 138.4
13 (CH3) 9.1
14 (CH3) 15.9
15 (CH3) 9.2
3a (C) 167.7
3b (C) 128
3c (CH) 137.9
3d (CH3) 15.8
3ba (CH3) 20.6