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)
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 |