ELEUTHEROBIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H48N2O10
Molecular Weight	656.763
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](OC(=O)\C=C\C3=CN(C)C=N3)[C@@]4(C)O[C@](OC)(C=C4)C(CO[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5OC(C)=O)=C[C@]1([H])[C@H](CC=C2C)C(C)C

InChI

InChIKey=XOPYFXBZMVTEJF-PDACKIITSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ELEUTHEROBIN

Common Name

English

[(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

Systematic Name

English

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

Systematic Name

English

β-D-Arabinopyranoside, [3,4,4a,7,10,11,12,12a-octahydro-7-methoxy-1,10-dimethyl-4-(1-methylethyl)-11-[[3-(1-methyl-1H-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-7,10-epoxybenzocyclodecen-6-yl]methyl, 2-acetate, [4R-[4R*,4aS*,5Z,7R*,10S*,11S*(E),12aR*]]-

Systematic Name

English

ELEUTHEROBIN [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20893496