Paludolactone

Paludolactone

Common Name: Paludolactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/c1-9-13(4)23(29)35-21-19-17(14(5)24(30)34-19)18(33-22(28)12(2)3)20-25(7,31)11-10-16(26(20,21)8)32-15(6)27/h9,12,16-21,31H,5,10-11H2,1-4,6-8H3/b13-9-/t16-,17-,18-,19-,20+,21-,25-,26+/m1/s1

InChIKey: InChIKey=MZXMXPYZMSYHPG-WMBPETHRSA-N

Formula: C26H36O9

Molecular Weight: 492.559645

Exact Mass: 492.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cechinel Filho, V., Block, L.C., Yunes, R.A., Delle Monache, F. Nat Prod Res (2004) 18, 447-51

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) 73.2
2 (CH2) 23.1
3 (CH2) 41.8
4 (C) 71.1
5 (CH) 43.8
6 (CH) 68.1
7 (CH) 45
8 (CH) 72.1
9 (CH) 69.5
10 (C) 41.6
11 (C) 134.2
12 (C) 169
13 (CH2) 119.2
14 (CH3) 14.4
15 (CH3) 26.4
1a (C) 170.3
1b (CH3) 21
6a (C) 176.3
6b (CH) 34.5
6c (CH3) 18.4
6d (CH3) 19
9a (C) 165.1
9b (C) 125.9
9c (CH) 141.8
9d (CH3) 15.8
9e (CH3) 20.1