2,4abeta,8,8aalpha-Tetramethyl-6-oxo-7-hydroxy-1,2,3,4,4a,4balpha,5,6,8aalpha,9,10,10aalpha-dodecahydrophenanthrene-2beta-carboxylic acid

2,4abeta,8,8aalpha-Tetramethyl-6-oxo-7-hydroxy-1,2,3,4,4a,4balpha,5,6,8aalpha,9,10,10aalpha-dodecahydrophenanthrene-2beta-carboxylic acid

Common Name: 2,4abeta,8,8aalpha-Tetramethyl-6-oxo-7-hydroxy-1,2,3,4,4a,4balpha,5,6,8aalpha,9,10,10aalpha-dodecahydrophenanthrene-2beta-carboxylic acid

Synonyms: 2,4abeta,8,8aalpha-Tetramethyl-6-oxo-7-hydroxy-1,2,3,4,4a,4balpha,5,6,8aalpha,9,10,10aalpha-dodecahydrophenanthrene-2beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C19H28O4/c1-11-15(21)13(20)9-14-18(11,3)6-5-12-10-17(2,16(22)23)7-8-19(12,14)4/h12,14,21H,5-10H2,1-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1

InChIKey: InChIKey=LPHDABIHBXFBNX-KRJMWWHISA-N

Formula: C19H28O4

Molecular Weight: 320.423943

Exact Mass: 320.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kijjoa, A., Pinto, M.M.M., Anantachoke, C., Gedris, T.E., Herz, W. Phytochemistry (1995) 40, 191-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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) 37.8
2 (C) 192.9
3 (C) 144.6
4 (C) 135.1
5 (C) 39
6 (CH2) 35.7
7 (CH2) 26.5
8 (CH) 41.6
9 (C) 37.8
10 (CH) 54.3
11 (CH2) 33.6
12 (CH2) 28.5
13 (C) 41.1
14 (CH2) 33.2
15 (C) 184.7
17 (CH3) 21.2
18 (CH3) 13.6
19 (CH3) 31.7
20 (CH3) 11.6