1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(1,2-dihydroxyethyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one

1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(1,2-dihydroxyethyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one

Common Name: 1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(1,2-dihydroxyethyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one

Synonyms: 1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(1,2-dihydroxyethyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-12-17(24)14(22)9-15-19(12,3)6-5-13-10-18(2,16(23)11-21)7-8-20(13,15)4/h13,15-16,21,23-24H,5-11H2,1-4H3/t13-,15-,16?,18-,19+,20-/m0/s1

InChIKey: InChIKey=OPIVSPPXGVRLDX-VLGNQYRISA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

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) 38
2 (C) 193
3 (C) 144.6
4 (C) 135.3
5 (C) 39
6 (CH2) 36.4
7 (CH2) 26.9
8 (CH) 41.3
9 (C) 38.1
10 (CH) 54.5
11 (CH2) 33.9
12 (CH2) 28.4
13 (C) 36.5
14 (CH2) 33.2
15 (CH) 81
16 (CH2) 62.6
17 (CH3) 19.2
18 (CH3) 13.6
19 (CH3) 31.7
20 (CH3) 11.5