ent-18-Acetoxy-6α-hydroxymanoyl oxide

ent-18-Acetoxy-6α-hydroxymanoyl oxide

Common Name: ent-18-Acetoxy-6α-hydroxymanoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-7-20(4)12-9-17-21(5)11-8-10-19(3,14-25-15(2)23)18(21)16(24)13-22(17,6)26-20/h7,16-18,24H,1,8-14H2,2-6H3/t16-,17+,18-,19-,20-,21+,22+/m1/s1

InChIKey: InChIKey=LGMNIWPERQIVKZ-LTABAFLCSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ghoumari, H., Benajiba, M.H., Garcia-Granados, A., Fernandez, A., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (2006) 67, 2294-302

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 38.5
2 (CH2) 17.6
3 (CH2) 37
4 (C) 37.6
5 (CH) 55.3
6 (CH) 68.4
7 (CH2) 54.3
8 (C) 74.3
9 (CH) 54.9
10 (C) 37.2
11 (CH2) 15.6
12 (CH2) 35.2
13 (C) 73.6
14 (CH) 147.7
15 (CH2) 110.5
16 (CH3) 27
17 (CH3) 29
18 (CH2) 75.1
19 (CH3) 17.7
20 (CH3) 16.9
18a (C) 171.6
18b (CH3) 21.3