ent-16,18-diacetoxy-6-oxo-13-epi-manoyl oxide

ent-16,18-diacetoxy-6-oxo-13-epi-manoyl oxide

Common Name: ent-16,18-diacetoxy-6-oxo-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O6/c1-7-24(15-29-17(3)26)12-9-19-22(5)11-8-10-21(4,14-28-16(2)25)20(22)18(27)13-23(19,6)30-24/h7,19-20H,1,8-15H2,2-6H3/t19-,20+,21+,22-,23-,24-/m0/s1

InChIKey: InChIKey=XRUYFDMJGPNTNF-ZUYVPRDGSA-N

Formula: C24H36O6

Molecular Weight: 420.539958

Exact Mass: 420.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91

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) 39.3
2 (CH2) 17.5
3 (CH2) 36
4 (C) 35.6
5 (CH) 60.8
6 (C) 208.4
7 (CH2) 59.6
8 (C) 78.2
9 (CH) 58.5
10 (C) 40.1
11 (CH2) 15.9
12 (CH2) 29.7
13 (C) 75.2
14 (CH) 142.4
15 (CH2) 114.3
16 (CH2) 71.2
17 (CH3) 24.5
18 (CH2) 71.7
19 (CH3) 17.6
20 (CH3) 17.1
16a (C) 170.9
16b (CH3) 21
18a (C) 170.8
18b (CH3) 21