7α,11β,16α-trihydroxy-15-oxo-ent-kaur-2-ene

7α,11β,16α-trihydroxy-15-oxo-ent-kaur-2-ene

Common Name: 7α,11β,16α-trihydroxy-15-oxo-ent-kaur-2-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-17(2)6-5-7-18(3)13(17)9-14(22)20-10-11(8-12(21)15(18)20)19(4,24)16(20)23/h5-6,11-15,21-22,24H,7-10H2,1-4H3/t11-,12+,13-,14-,15+,18-,19+,20+/m1/s1

InChIKey: InChIKey=VRRTVSULIOXORU-CPFUJPQVSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fraga, B.M., Guillermo, R., Hernandez, M.G. J Nat Prod (2004) 67, 64-9

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) 40.1
2 (CH) 120.3
3 (CH) 138.1
4 (C) 34.7
5 (CH) 48.9
6 (CH2) 28.2
7 (CH) 70.8
8 (C) 57
9 (CH) 63.2
10 (C) 36.7
11 (CH) 65.4
12 (CH2) 36.4
13 (CH) 40.9
14 (CH2) 25.1
15 (C) 220
16 (C) 77.7
17 (CH3) 19.5
18 (CH3) 31.7
19 (CH3) 22.4
20 (CH3) 18.3