ent-16,18-diacetoxy-6-oxo-11b-hydroxy-13-epi-manoyl oxide

ent-16,18-diacetoxy-6-oxo-11b-hydroxy-13-epi-manoyl oxide

Common Name: ent-16,18-diacetoxy-6-oxo-11b-hydroxy-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O7/c1-7-24(14-30-16(3)26)12-18(28)20-22(5)10-8-9-21(4,13-29-15(2)25)19(22)17(27)11-23(20,6)31-24/h7,18-20,28H,1,8-14H2,2-6H3/t18-,19-,20+,21-,22-,23+,24+/m1/s1

InChIKey: InChIKey=QVLCAKPVDDWHCI-QMBYIOMDSA-N

Formula: C24H36O7

Molecular Weight: 436.539363

Exact Mass: 436.246104

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) 38.6
2 (CH2) 17.3
3 (CH2) 35.9
4 (C) 35.7
5 (CH) 61.5
6 (C) 208.2
7 (CH2) 61
8 (C) 77.5
9 (CH) 58.6
10 (C) 40.3
11 (CH) 64.7
12 (CH2) 37.9
13 (C) 73.7
14 (CH) 143.7
15 (CH2) 115.3
16 (CH2) 71.1
17 (CH3) 27
18 (CH2) 71.8
19 (CH3) 17.5
20 (CH3) 18.4
16a (C) 171
16b (CH3) 21
18a (C) 170.7
18b (CH3) 20.9