4,5-Dioxo-10-epi-4,5-seco-γ-eudesmol 2'-D-fucopyranoside triacetate

4,5-Dioxo-10-epi-4,5-seco-γ-eudesmol 2'-D-fucopyranoside triacetate

Common Name: 4,5-Dioxo-10-epi-4,5-seco-γ-eudesmol 2'-D-fucopyranoside triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H42O10/c1-15(28)10-9-12-27(8)13-11-20(14-21(27)32)26(6,7)37-25-24(36-19(5)31)23(35-18(4)30)22(16(2)33-25)34-17(3)29/h16,20,22-25H,9-14H2,1-8H3/t16-,20-,22+,23+,24-,25+,27+/m1/s1

InChIKey: InChIKey=XICJTFLMFHGASA-OZOVHXLESA-N

Formula: C27H42O10

Molecular Weight: 526.61743

Exact Mass: 526.277798

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Arteaga, P., Quilez, J.F., Rodriguez, I., Herrador, M.M. J Nat Prod (1997) 60, 1026-30

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 (CH2) 18.2
2 (CH2) 36.3
3 (CH2) 43.7
4 (C) 215.7
5 (C) 208.5
6 (CH2) 39.4
7 (CH) 49.6
8 (CH2) 21.2
9 (CH2) 38.2
10 (C) 47.9
11 (C) 78.9
12 (CH3) 23.4
13 (CH3) 21.7
14 (CH3) 25.1
15 (CH3) 29.9
1' (CH) 95.6
2' (CH) 69.2
3' (CH) 70.4
4' (CH) 71.6
5' (CH) 69
6' (CH3) 16.3
2'a (C) 169.3
2'b (CH3) 20.7
3'a (C) 170.8
3'b (CH3) 20.8
4'a (C) 170.3
4'b (CH3) 20.9