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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H28O4/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/h9,13,15,21-22H,1,5-8,10-11H2,2-4H3/t13-,15-,18-,19+,20-/m0/s1

InChIKey: InChIKey=VUBVLRJKVTZJLO-DYWRSEPTSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

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)

Carbon NMR Peaks

Position PPM
1 (CH) 117.1
2 (C) 148.6
3 (C) 185
4 (C) 147.4
5 (C) 41.1
6 (CH2) 36.4
7 (CH2) 25.2
8 (CH) 40.2
9 (C) 40.4
10 (CH) 55.2
11 (CH2) 35.5
12 (CH2) 27.7
13 (C) 45.6
14 (CH2) 34.9
15 (C) 214.8
16 (CH2) 63.8
17 (CH3) 20.4
18 (CH2) 119
19 (CH3) 33.8
20 (CH3) 11.9