ent-18-Acetoxy-1β-hydroxy-6-oxo-13-epi-manoyl oxide

ent-18-Acetoxy-1β-hydroxy-6-oxo-13-epi-manoyl oxide

Common Name: ent-18-Acetoxy-1β-hydroxy-6-oxo-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-7-20(4)11-8-16-21(5,27-20)12-15(24)18-19(3,13-26-14(2)23)10-9-17(25)22(16,18)6/h7,16-18,25H,1,8-13H2,2-6H3/t16-,17+,18-,19-,20+,21+,22-/m1/s1

InChIKey: InChIKey=FKESAAKLUAQKDE-QXDZREBPSA-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 (CH) 79.2
2 (CH2) 29
3 (CH2) 34.3
4 (C) 35.4
5 (CH) 59.6
6 (C) 208.4
7 (CH2) 59.8
8 (C) 77.5
9 (CH) 59.6
10 (C) 45.3
11 (CH2) 19
12 (CH2) 34.6
13 (C) 74
14 (CH) 146.6
15 (CH2) 110.5
16 (CH3) 32.5
17 (CH3) 24.6
18 (CH2) 71.2
19 (CH3) 17.4
20 (CH3) 13.1
18a (C) 170.9
18b (CH3) 21