(1S,3S,7S,10R,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,9,11-tris(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecan-5-one

Systemtic Name: (1S,3S,7S,10R,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,9,11-tris(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecan-5-one Openeye Name: (1S,3S,7S,10R,11S,12S,16R)-7,9,11-trihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecan-5-one CAS Name: (1S,3S,7S,10R,11S,12S,16R)-7,9,11-trihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecan-5-one IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-7,9,11-trihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecan-5-one Traditional Name: (1S,3S,7S,10R,11S,12S,16R)-7,9,11-trihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecan-5-one Formula: C27H43NO6S MolecularWeight: 509.69842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(C(C1O)C)O)(C)C)O)C(=CC3=CSC(=N3)C)C)C

Isomeric SMILES

C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C([C@@H]([C@H]1O)C)O)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C

InChI

InChI=1S/C27H43NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24-25,29,31-32H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,25?,27+/m0/s1