ent-7b,12a-Dihydroxy-3-oxo-13-epi-manoyl oxide

ent-7b,12a-Dihydroxy-3-oxo-13-epi-manoyl oxide

Common Name: ent-7b,12a-Dihydroxy-3-oxo-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-7-19(5)15(22)11-13-18(4)9-8-14(21)17(2,3)12(18)10-16(23)20(13,6)24-19/h7,12-13,15-16,22-23H,1,8-11H2,2-6H3/t12-,13+,15-,16-,18-,19+,20-/m1/s1

InChIKey: InChIKey=YSAHKSVGDCNNEM-IYIDNHBTSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Linan, E., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1995) 38, 1237-44

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) 37.4
2 (CH2) 33.6
3 (C) 216.9
4 (C) 47
5 (CH) 52.4
6 (CH2) 27.8
7 (CH) 79.4
8 (C) 79.1
9 (CH) 46.5
10 (C) 36
11 (CH2) 23.7
12 (CH) 68.6
13 (C) 76.3
14 (CH) 146.5
15 (CH2) 111.2
16 (CH3) 27
17 (CH3) 18.4
18 (CH3) 26.9
19 (CH3) 20.8
20 (CH3) 15.7