Ent-3b-(3-Methyl-2-butenoyl)oxy-15-beyeren-19-oicacid

Ent-3b-(3-Methyl-2-butenoyl)oxy-15-beyeren-19-oicacid

Common Name: Ent-3b-(3-Methyl-2-butenoyl)oxy-15-beyeren-19-oicacid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O4/c1-16(2)14-20(26)29-19-8-10-23(4)17(24(19,5)21(27)28)7-11-25-13-12-22(3,15-25)9-6-18(23)25/h12-14,17-19H,6-11,15H2,1-5H3,(H,27,28)/t17-,18-,19+,22+,23+,24-,25-/m0/s1

InChIKey: InChIKey=RRRHNFHOWMELHD-YYXBJMGSSA-N

Formula: C25H36O4

Molecular Weight: 400.551884

Exact Mass: 400.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wellsow, J., Grayer, R.J., Veitch, N.C., Kokubun, T., Lelli, R., Kite, G.C., Simmonds, M.S. Phytochemistry (2006) 67, 1818-25

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) 37.5
2 (CH2) 24.3
3 (CH) 78.2
4 (C) 48.2
5 (CH) 56.6
6 (CH2) 21.4
7 (CH2) 37.3
8 (C) 48.8
9 (CH) 52.4
10 (C) 37.7
11 (CH2) 20.5
12 (CH2) 33
13 (C) 43.7
14 (CH2) 60.9
15 (CH) 134.6
16 (CH) 136.8
17 (CH3) 24.8
18 (CH3) 24.1
19 (C) 179.2
20 (CH3) 13.5
3a (C) 166.3
3b (CH) 116.4
3c (C) 156.9
3d (CH3) 27.4
33a (CH3) 20.3