Methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate

Methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate

Common Name: Methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H28O4/c1-11(20)12-5-8-19-10-17(2,15-16(19)23-15)7-6-13(19)18(12,3)9-14(21)22-4/h12-13,15-16H,5-10H2,1-4H3/t12-,13+,15+,16-,17-,18-,19-/m1/s1

InChIKey: InChIKey=SZQCLROOGAWENL-VXRXMCSFSA-N

Formula: C19H28O4

Molecular Weight: 320.423943

Exact Mass: 320.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Grace, M.H., Faraldos, J.A., Lila, M.A., Coates, R.M. Phytochemistry (2007) 68, 546-53

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) 42.3
2 (C) 172
4 (C) 212.2
5 (CH) 48.2
6 (CH2) 19.3
7 (CH2) 35.1
8 (C) 46.4
9 (CH) 51.3
10 (C) 39.6
11 (CH2) 22.8
12 (CH2) 31.4
13 (C) 44
14 (CH2) 38.9
15 (CH) 55.9
16 (CH) 54.4
17 (CH3) 21.3
18 (CH3) 31.4
20 (CH3) 18.5
2a (CH3) 56.1