ent-1β,18-Diacetoxy-6-oxo-manoyl oxide

ent-1β,18-Diacetoxy-6-oxo-manoyl oxide

Common Name: ent-1β,18-Diacetoxy-6-oxo-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-7-20(4)11-15(24)18-21(5)10-8-9-19(3,13-26-14(2)23)17(21)16(25)12-22(18,6)27-20/h7,15,17-18,24H,1,8-13H2,2-6H3/t15-,17+,18-,19+,20+,21+,22-/m0/s1

InChIKey: InChIKey=GDNQRAXZQJYORA-HIKHLOSGSA-N

Formula: C22H34O5

Molecular Weight: 378.5032

Exact Mass: 378.240624

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) 40
2 (CH2) 17.4
3 (CH2) 35.8
4 (C) 36
5 (CH) 60.8
6 (C) 208.3
7 (CH2) 60.1
8 (C) 76.5
9 (CH) 62.9
10 (C) 40.8
11 (CH) 64.9
12 (CH2) 43.5
13 (C) 74.2
14 (CH) 147.8
15 (CH2) 112.5
16 (CH3) 31.4
17 (CH3) 28.1
18 (CH2) 72
19 (CH3) 17.8
20 (CH3) 17.7
18a (C) 171
18b (CH3) 21