17,20-Di-O-acetyl-ent-isozonarol

17,20-Di-O-acetyl-ent-isozonarol

Common Name: 17,20-Di-O-acetyl-ent-isozonarol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H34O4/c1-16-8-11-23-24(4,5)12-7-13-25(23,6)21(16)15-19-14-20(28-17(2)26)9-10-22(19)29-18(3)27/h8-10,14,21,23H,7,11-13,15H2,1-6H3/t21-,23-,25+/m0/s1

InChIKey: InChIKey=FIMDJJYQJNUEKK-UMXIMWEHSA-N

Formula: C25H34O4

Molecular Weight: 398.536003

Exact Mass: 398.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perez-Garcia, E., Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2005) 68, 653-8

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) 39.7
2 (CH2) 18.8
3 (CH2) 42.2
4 (C) 33
5 (CH) 50.2
6 (CH2) 23.7
7 (CH) 122.8
8 (C) 134.7
9 (CH) 54
10 (C) 36.8
11 (CH2) 26.6
12 (CH3) 22.4
13 (CH3) 33.2
14 (CH3) 21.9
15 (CH3) 13.9
1' (C) 137.1
2' (C) 148.2
3' (CH) 123
4' (CH) 119.4
5' (C) 146
6' (CH) 122.3
3'a (C) 169.3
3'b (CH3) 169.2
6'a (C) 21.1
6'b (CH3) 20.9