2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-(2-methylbutyryloxy)propionic acid

2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-(2-methylbutyryloxy)propionic acid

Common Name: 2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-(2-methylbutyryloxy)propionic acid

Synonyms: 2-[(1R)-1beta,8abeta-Dimethyl-2beta-acetoxy-6-oxo-6,8a-dihydrotetralin-7-yl]-2-(2-methylbutyryloxy)propionic acid

CAS Registry Number:

InChI: InChI=1S/C22H30O7/c1-7-12(2)19(25)29-22(6,20(26)27)16-11-21(5)13(3)18(28-14(4)23)9-8-15(21)10-17(16)24/h10-13,18H,7-9H2,1-6H3,(H,26,27)/t12?,13-,18-,21+,22?/m0/s1

InChIKey: InChIKey=DSNWNSUDTKYKHT-RFAFHFHTSA-N

Formula: C22H30O7

Molecular Weight: 406.470247

Exact Mass: 406.199153

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2008) 91, 951-7

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 (CH2) 28.8
2 (CH2) 33.6
3 (CH) 74.6
4 (CH) 44.1
5 (C) 45
6 (CH) 154.1
7 (C) 136.9
8 (C) 185.7
9 (CH) 125.5
10 (C) 170.1
11 (C) 81.5
12 (C) 173.9
13 (CH3) 22.3
14 (CH3) 20.6
15 (CH3) 12.8
3a (C) 172.3
3b (CH3) 21.3
11a (C) 176.5
11b (CH) 42.8
11c (CH2) 28
11d (CH3) 12
11ba (CH3) 17.3