ent-3b,16,18-trihydroxy-6-oxo-13-epi-manoyl oxide

ent-3b,16,18-trihydroxy-6-oxo-13-epi-manoyl oxide

Common Name: ent-3b,16,18-trihydroxy-6-oxo-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-5-20(12-22)9-6-14-17(2)8-7-15(24)18(3,11-21)16(17)13(23)10-19(14,4)25-20/h5,14-16,21-22,24H,1,6-12H2,2-4H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1

InChIKey: InChIKey=AYRYWLCAVWYVIS-DTMQFJJTSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

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) 38.3
2 (CH2) 26
3 (CH) 72.9
4 (C) 41.4
5 (CH) 59.5
6 (C) 208.5
7 (CH2) 59.7
8 (C) 78.6
9 (CH) 58.3
10 (C) 39.9
11 (CH2) 16
12 (CH2) 27.8
13 (C) 77.4
14 (CH) 142.8
15 (CH2) 114.4
16 (CH2) 69.4
17 (CH3) 24.5
18 (CH2) 66.9
19 (CH3) 11.6
20 (CH3) 17.4