15-O-Acetyl-15-epi-(4E)-jatrogrossidentadion

15-O-Acetyl-15-epi-(4E)-jatrogrossidentadion

Common Name: 15-O-Acetyl-15-epi-(4E)-jatrogrossidentadion

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-11-9-14-17(18(11)24)20-22(6,26-20)8-7-15-16(21(15,4)5)10-12(2)19(14)25-13(3)23/h9,12,15-17,20H,7-8,10H2,1-6H3/b19-14+/t12-,15+,16-,17+,20+,22-/m1/s1

InChIKey: InChIKey=HQTDVSPKCOYAQC-YXDFGCPGSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ravindranath, N., Ravinder Reddy, M., Ramesh, C., Ramu, R., Prabhakar, A., Jagadeesh, B., Das, B. Chem Pharm Bull (2004) 52, 608-11

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) 149.5
2 (C) 142
3 (C) 204
4 (CH) 45
5 (CH) 61.7
6 (C) 59.2
7 (CH2) 40.7
8 (CH2) 19.2
9 (CH) 27.7
10 (C) 17.2
11 (CH) 18.9
12 (CH2) 28.6
13 (CH) 35.2
14 (C) 147
15 (C) 125.2
16 (CH3) 10.6
17 (CH3) 24.3
18 (CH3) 28.9
19 (CH3) 15.1
20 (CH3) 17.1
14a (C) 168.9
14b (CH3) 20.6