3β-Hydroxy-ent-trachyloban-19-oic Acid

3β-Hydroxy-ent-trachyloban-19-oic Acid

Common Name: 3β-Hydroxy-ent-trachyloban-19-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-17-6-5-15(21)19(3,16(22)23)13(17)4-7-20-9-12-11(8-14(17)20)18(12,2)10-20/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12-,13+,14+,15-,17-,18+,19+,20+/m1/s1

InChIKey: InChIKey=ZFOHHZLVISXFAE-SUJMHAKGSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Graikou, K., Aligiannis, N., Chinou, L., Skaltsounis, A.L., Tillequin, F.O., Litaudon, M. Helv Chim Acta (2005) 88, 2654-60

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) 38.9
2 (CH2) 27.7
3 (CH) 78.1
4 (C) 43.9
5 (CH) 56.4
6 (CH2) 21.6
7 (CH2) 38
8 (C) 40.4
9 (CH) 52.5
10 (C) 38.5
11 (CH2) 19.7
12 (CH) 20.5
13 (CH) 23.9
14 (CH2) 33
15 (CH2) 50
16 (C) 22.4
17 (CH3) 20.5
18 (CH3) 24.1
19 (C) 183
20 (CH3) 12.5