(4R,5alpha,8alpha,9S,10beta,13R)-Cleroda-14-ene-3alpha,4,13-triol

(4R,5alpha,8alpha,9S,10beta,13R)-Cleroda-14-ene-3alpha,4,13-triol

Common Name: (4R,5alpha,8alpha,9S,10beta,13R)-Cleroda-14-ene-3alpha,4,13-triol

Synonyms: (4R,5alpha,8alpha,9S,10beta,13R)-Cleroda-14-ene-3alpha,4,13-triol

CAS Registry Number:

InChI: InChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1

InChIKey: InChIKey=BBYQYMNXQRGCRE-DUBPVYKHSA-N

Formula: C20H36O3

Molecular Weight: 324.4988

Exact Mass: 324.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bomm, M.D., Zukerman-Schpector, J., Lopes, L.M.X. Phytochemistry (1999) 50, 455-61

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 16.2
2 (CH2) 30.3
3 (CH) 76.2
4 (C) 76.5
5 (C) 38.3
6 (CH2) 32.4
7 (CH2) 26.4
8 (CH) 36
9 (C) 41.2
10 (CH) 40.7
11 (CH2) 32.2
12 (CH2) 35.4
13 (C) 73.5
14 (CH) 145
15 (CH2) 111.6
16 (CH3) 27.4
17 (CH3) 15.9
18 (CH3) 21.3
19 (CH3) 17.2
20 (CH3) 18.5