Desacetyleleutherobin

Desacetyleleutherobin

Common Name: Desacetyleleutherobin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H46N2O9/c1-19(2)23-9-7-20(3)24-14-27(43-28(37)10-8-22-15-35(5)18-34-22)32(4)11-12-33(40-6,44-32)21(13-25(23)24)16-41-31-30(39)29(38)26(36)17-42-31/h7-8,10-13,15,18-19,23-27,29-31,36,38-39H,9,14,16-17H2,1-6H3/b10-8+,21-13-/t23-,24+,25-,26-,27+,29-,30+,31-,32+,33-/m1/s1

InChIKey: InChIKey=NFDRTHOLSNXDNN-PVKBMYMFSA-N

Formula: C33H46N2O9

Molecular Weight: 614.72769

Exact Mass: 614.320331

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Cinel, B., Roberge, M., Behrisch, H., Ofwegen, L.v., Castro, C.B., Andersen, R.J. Org Lett (2000) 2, 257-60

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) 33.3
2 (CH) 132.3
3 (C) 133.9
4 (C) 115.6
5 (CH) 130.9
6 (CH) 134
7 (C) 89.1
8 (CH) 80.7
9 (CH2) 31.1
10 (CH) 38.4
11 (C) 133.5
12 (CH) 121.2
13 (CH2) 23.9
14 (CH) 42.2
15 (CH2) 67.9
16 (CH3) 23.9
17 (CH3) 21.7
18 (CH) 28.7
19 (CH3) 20.2
20 (CH3) 22
1' (C) 166
2' (CH) 113.5
3' (CH) 137.8
4' (C) 136.8
5' (CH) 124.8
6' (CH) 140
7' (CH3) 33.1
1'' (CH) 97.1
2'' (CH) 69.2
3'' (CH) 68.5
4'' (CH) 68.1
5'' (CH2) 63.1
4a (CH3) 49