1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-3-(methoxymethoxy)-10,13-dimethyl-1-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methyl-butane-2,3-diol

Systemtic Name: 1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-3-(methoxymethoxy)-10,13-dimethyl-1-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methyl-butane-2,3-diol Openeye Name: 1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-1-hydroxy-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methyl-butane-2,3-diol CAS Name: 1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-1-hydroxy-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methylbutane-2,3-diol IUPAC Name: 1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-1-hydroxy-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methylbutane-2,3-diol Traditional Name: 1-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-1-hydroxy-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-methyl-butane-2,3-diol Formula: C28H46O6 MolecularWeight: 478.66124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OCOC)O)C)C)OCC(C(C)(C)O)O

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OCOC)O)C)C)OCC(C(C)(C)O)O

InChI

InChI=1S/C28H46O6/c1-17(33-15-25(30)26(2,3)31)21-9-10-22-20-8-7-18-13-19(34-16-32-6)14-24(29)28(18,5)23(20)11-12-27(21,22)4/h7-8,17,19,21-25,29-31H,9-16H2,1-6H3/t17-,19+,21+,22-,23-,24-,25?,27+,28-/m0/s1