Eleutherobin

CAS	174545-76-7
Description	Eleutherobin can be isolated from a marine soft coral.
Synonyms	β-D-Arabinopyranoside, [(4R,4aS,5Z,7R,10S,11S,12aR)-3,4,4a,7,10,11,12,12a-octahydro-7-methoxy-1,10-dimethyl-4-(1-methylethyl)-11-[[(2E)-3-(1-methyl-1H-imidazol-4-yl)-1-oxo-2-propen-1-yl]oxy]-7,10-epoxybenzocyclodecen-6-yl]methyl, 2-acetate
IUPAC Name	[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-Acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
Molecular Weight	656.8
Molecular Formula	C35H48N2O10
Canonical SMILES	CO[C@@]12/C(CO[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)OC(C)=O)=C\[C@@]4([H])[C@@](C(C)=CC[C@@H]4C(C)C)([H])C[C@@H]([C@@](O1)(C=C2)C)OC(/C=C/C5=CN(C)C=N5)=O
InChI	InChI=1S/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1
InChI Key	XOPYFXBZMVTEJF-PDACKIITSA-N
Purity	95%+
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
Complexity	1280
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Exact Mass	656.33089573
Heavy Atom Count	47
Isomeric SMILES	CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/CO[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O)OC(=O)C)OC)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C
Monoisotopic Mass	656.33089573
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	148 Ų