(10R,13S,17S)-17-ethyl-17-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (10R,13S,17S)-17-ethyl-17-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (10R,13S,17S)-17-ethyl-13-methyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (10R,13S,17S)-17-ethyl-13-methyl-17-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (10R,13S,17S)-17-ethyl-13-methyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (10R,13S,17S)-17-ethyl-13-methyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C26H40O7 MolecularWeight: 464.5916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

CC[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@H]34)C)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O

InChI

InChI=1S/C26H40O7/c1-3-26(33-24-23(31)22(30)21(29)20(13-27)32-24)11-9-19-18-6-4-14-12-15(28)5-7-16(14)17(18)8-10-25(19,26)2/h12,16-24,27,29-31H,3-11,13H2,1-2H3/t16-,17?,18?,19?,20-,21-,22+,23-,24+,25-,26-/m0/s1