Common Name: 1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(hydroxyacetyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one
Synonyms: 1,4balpha,7beta,10abeta-Tetramethyl-2-hydroxy-7-(hydroxyacetyl)-4abeta,4b,5,6,7,8,8abeta,9,10,10a-decahydrophenanthrene-3(4H)-one
CAS Registry Number:
InChI: InChI=1S/C20H30O4/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/h13,15,21,24H,5-11H2,1-4H3/t13-,15-,18-,19+,20-/m0/s1
InChIKey: InChIKey=DDYVXKLAJBJNHL-DYWRSEPTSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kijjoa, A., Polonia, M.A., Pinto, M.M.M., Kitiratakarn, T., Gedris, T.E., Herz, W. Phytochemistry (1994) 37, 197-200
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)
Position | PPM |
---|---|
1 (CH2) | 37.4 |
2 (C) | 192.5 |
3 (C) | 144.3 |
4 (C) | 135.1 |
5 (C) | 38.6 |
6 (CH2) | 34.6 |
7 (CH2) | 26.2 |
8 (CH) | 40.5 |
9 (C) | 37.5 |
10 (CH) | 53.8 |
11 (CH2) | 32.9 |
12 (CH2) | 27.3 |
13 (C) | 45 |
14 (CH2) | 32.9 |
15 (C) | 214.8 |
16 (CH2) | 63.6 |
17 (CH3) | 20.3 |
18 (CH3) | 12.3 |
19 (CH3) | 31.3 |
20 (CH3) | 11.3 |