16-O-Acetyl-2,7-dioxofagonene

16-O-Acetyl-2,7-dioxofagonene

Common Name: 16-O-Acetyl-2,7-dioxofagonene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-13-8-15(24)9-18-21(4)7-6-20(3,19(26)12-27-14(2)23)10-16(21)17(25)11-22(13,18)5/h8,16,18-19,26H,6-7,9-12H2,1-5H3/t16-,18-,19-,20+,21+,22-/m1/s1

InChIKey: InChIKey=HXBOHDLDWGUHDV-PQWFXDHLSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Abdelkader, M.S., Omar, A.A., Abdelsalam, N.A., Stermitz, F.R. Phytochemistry (1994) 36, 1431-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxanes; 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) 34.6
2 (C) 197.4
3 (CH) 127.6
4 (C) 166.2
5 (C) 35.7
6 (CH2) 50.2
7 (C) 209.7
8 (CH) 52.5
9 (C) 44.7
10 (CH) 54.4
11 (CH2) 26.5
12 (CH2) 28
13 (C) 43.2
14 (CH2) 33
15 (CH) 77.8
16 (CH2) 65.6
17 (CH3) 18.2
18 (CH3) 21.2
19 (CH3) 32.3
20 (CH3) 15.4
16a (C) 171.3
16b (CH3) 20.7