Ent-kaurane-2b,3a,16a-triol

Ent-kaurane-2b,3a,16a-triol

Common Name: Ent-kaurane-2b,3a,16a-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-17(2)14-7-8-20-9-12(19(4,23)11-20)5-6-15(20)18(14,3)10-13(21)16(17)22/h12-16,21-23H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,18-,19-,20+/m1/s1

InChIKey: InChIKey=GLYCFUXCSVKFRB-CSMKTOTHSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - da Silva, V.C., Faria, A.D., Bolzani, V.D.S., Lopes, M.N. Helv Chim Acta (2007) 90, 1781-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 47
2 (CH) 67.2
3 (CH) 82.3
4 (C) 38.8
5 (CH) 54.6
6 (CH2) 17.7
7 (CH2) 41.6
8 (C) 44.4
9 (CH) 56.1
10 (C) 39
11 (CH2) 19.8
12 (CH2) 26.4
13 (CH) 47.8
14 (CH2) 37
15 (CH2) 57.5
16 (C) 76.7
17 (CH3) 24.3
18 (CH3) 28.9
19 (CH3) 16.8
20 (CH3) 18.7