6α,17,19-ent-Trachylobantriol

6α,17,19-ent-Trachylobantriol

Common Name: 6α,17,19-ent-Trachylobantriol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-17(10-21)4-3-5-18(2)15-6-12-13-7-19(15,8-14(23)16(17)18)9-20(12,13)11-22/h12-16,21-23H,3-11H2,1-2H3/t12-,13-,14-,15+,16-,17+,18+,19-,20-/m1/s1

InChIKey: InChIKey=BKQODMJLTYMIPZ-IONBEEOCSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Juma, B.F., Midiwo, J.O., Yenesew, A., Waterman, P.G., Heydenreich, M., Peter, M.G. Phytochemistry (2006) 67, 1322-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) 40.2
2 (CH2) 18.7
3 (CH2) 40.8
4 (C) 39.5
5 (CH) 61.5
6 (CH) 69.3
7 (CH2) 49.8
8 (C) 41.5
9 (CH) 54
10 (C) 40.7
11 (CH2) 20.8
12 (CH) 19.2
13 (CH) 22.8
14 (CH2) 34.6
15 (CH2) 47.5
16 (C) 31
17 (CH2) 66.8
18 (CH3) 32.6
19 (CH2) 67.8
20 (CH3) 16.4