(1S)-2,2,6beta-Trimethyl-6-(3,6-dioxo-4-isopropyl-1,4-cyclohexadiene-1-yl)cyclohexane-1beta-acetic acid

(1S)-2,2,6beta-Trimethyl-6-(3,6-dioxo-4-isopropyl-1,4-cyclohexadiene-1-yl)cyclohexane-1beta-acetic acid

Common Name: (1S)-2,2,6beta-Trimethyl-6-(3,6-dioxo-4-isopropyl-1,4-cyclohexadiene-1-yl)cyclohexane-1beta-acetic acid

Synonyms: (1S)-2,2,6beta-Trimethyl-6-(3,6-dioxo-4-isopropyl-1,4-cyclohexadiene-1-yl)cyclohexane-1beta-acetic acid

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-12(2)13-9-16(22)14(10-15(13)21)20(5)8-6-7-19(3,4)17(20)11-18(23)24/h9-10,12,17H,6-8,11H2,1-5H3,(H,23,24)/t17-,20+/m0/s1

InChIKey: InChIKey=RXKYDRDAPCHXPT-FXAWDEMLSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yoshikawa, K., Suzuki, K., Umeyama, A., Arihara, S. Chem Pharm Bull (2006) 54, 574-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 36.4
2 (CH2) 18.6
3 (CH2) 40.6
4 (C) 34
5 (CH) 44.1
6 (CH2) 32.3
7 (C) 179.9
8 (C) 187.8
9 (C) 154.4
10 (C) 43.1
11 (CH) 134.5
12 (C) 187.8
13 (C) 152.4
14 (CH) 133.2
15 (CH) 26.1
16 (CH3) 21.5
17 (CH3) 20.9
18 (CH3) 33.2
19 (CH3) 22.7
20 (CH3) 20