1,2,4abeta,4b,5,6,7,8,8abeta,9,10,10a-Dodecahydro-3-hydroxy-4balpha,7,10abeta-trimethyl-1-methylene-2-oxophenanthrene-7alpha-carboxylic acid

1,2,4abeta,4b,5,6,7,8,8abeta,9,10,10a-Dodecahydro-3-hydroxy-4balpha,7,10abeta-trimethyl-1-methylene-2-oxophenanthrene-7alpha-carboxylic acid

Common Name: 1,2,4abeta,4b,5,6,7,8,8abeta,9,10,10a-Dodecahydro-3-hydroxy-4balpha,7,10abeta-trimethyl-1-methylene-2-oxophenanthrene-7alpha-carboxylic acid

Synonyms: 1,2,4abeta,4b,5,6,7,8,8abeta,9,10,10a-Dodecahydro-3-hydroxy-4balpha,7,10abeta-trimethyl-1-methylene-2-oxophenanthrene-7alpha-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C19H26O4/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/h9,12,14,20H,1,5-8,10H2,2-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1

InChIKey: InChIKey=CVAILKMOFONEDU-KRJMWWHISA-N

Formula: C19H26O4

Molecular Weight: 318.408061

Exact Mass: 318.183109

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 (CH) 117.4
2 (C) 148.7
3 (C) 185.1
4 (C) 147.2
5 (C) 41.9
6 (CH2) 36.5
7 (CH2) 25.2
8 (CH) 40.4
9 (C) 37.9
10 (CH) 55.3
11 (CH2) 36.3
12 (CH2) 28.5
13 (C) 41.2
14 (CH2) 34.6
15 (C) 183.8
17 (CH3) 21
18 (CH2) 119
19 (CH3) 33.9
20 (CH3) 12