(2S,3S,4R,5R,6S)-2-[(3R,4S,5R)-3,5-dimethoxy-2-phenylsulfanyl-oxan-4-yl]oxy-3,4-dimethoxy-5-[(4-methoxyphenyl)methoxy]-6-methyl-oxane

Systemtic Name: (2S,3S,4R,5R,6S)-2-[(3R,4S,5R)-3,5-dimethoxy-2-phenylsulfanyl-oxan-4-yl]oxy-3,4-dimethoxy-5-[(4-methoxyphenyl)methoxy]-6-methyl-oxane Openeye Name: (2S,3S,4R,5R,6S)-2-[(3R,4S,5R)-3,5-dimethoxy-2-phenylsulfanyl-tetrahydropyran-4-yl]oxy-3,4-dimethoxy-5-[(4-methoxyphenyl)methoxy]-6-methyl-tetrahydropyran CAS Name: (2S,3S,4R,5R,6S)-2-[[(3R,4S,5R)-3,5-dimethoxy-2-(phenylthio)-4-oxanyl]oxy]-3,4-dimethoxy-5-[(4-methoxyphenyl)methoxy]-6-methyloxane IUPAC Name: (2S,3S,4R,5R,6S)-2-[(3R,4S,5R)-3,5-dimethoxy-2-phenylsulfanyloxan-4-yl]oxy-3,4-dimethoxy-5-[(4-methoxyphenyl)methoxy]-6-methyloxane Traditional Name: (2S,3S,4R,5R,6S)-2-[(3R,4S,5R)-3,5-dimethoxy-2-(phenylthio)tetrahydropyran-4-yl]oxy-3,4-dimethoxy-6-methyl-5-p-anisyloxy-tetrahydropyran Formula: C29H40O9S MolecularWeight: 564.6875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(COC(C2OC)SC3=CC=CC=C3)OC)OC)OC)OCC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](COC([C@@H]2OC)SC3=CC=CC=C3)OC)OC)OC)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H40O9S/c1-18-23(35-16-19-12-14-20(30-2)15-13-19)25(32-4)26(33-5)28(37-18)38-24-22(31-3)17-36-29(27(24)34-6)39-21-10-8-7-9-11-21/h7-15,18,22-29H,16-17H2,1-6H3/t18-,22+,23+,24-,25+,26-,27+,28-,29?/m0/s1