Methyl ent-13-acetoxy-19-oxo-19,20-cyclogibberella-9(11),16-dien-7-oate

Methyl ent-13-acetoxy-19-oxo-19,20-cyclogibberella-9(11),16-dien-7-oate

Common Name: Methyl ent-13-acetoxy-19-oxo-19,20-cyclogibberella-9(11),16-dien-7-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H28O5/c1-13-10-22-12-23(13,28-14(2)24)9-6-15(22)21-8-5-7-20(3,16(25)11-21)18(21)17(22)19(26)27-4/h6,17-18H,1,5,7-12H2,2-4H3/t17-,18-,20+,21-,22+,23+/m1/s1

InChIKey: InChIKey=GKIAOCAIDCNGSM-RKUPNUDOSA-N

Formula: C23H28O5

Molecular Weight: 384.466291

Exact Mass: 384.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Phuoc, L.T., Mander, L.N., Koshioka, M., Oyama-Okubo, N., Nakayama, M., Ito, A. Tetrahedron (2008) 64, 4835-51

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Gibberellanes; 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) 35
2 (CH2) 19.9
3 (CH2) 38.7
4 (C) 52.6
5 (CH) 58.8
6 (CH) 49.4
7 (C) 172.5
8 (C) 53.4
9 (C) 152
10 (C) 43.5
11 (CH) 115.3
12 (CH2) 40.9
13 (C) 85.3
14 (CH2) 42.3
15 (CH2) 46.3
16 (C) 154.3
17 (CH2) 107.6
18 (CH3) 16.8
19 (C) 219.8
20 (CH2) 49
7a (CH3) 51.9
13a (C) 169.8
13b (CH3) 22