3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-5,14,16-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Systemtic Name: 3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-5,14,16-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14,16-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: 3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-5,14,16-trihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14,16-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14,16-trihydroxy-17-(6-ketopyran-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Formula: C31H44O11 MolecularWeight: 592.67446

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C(CC5(C4CCC3(C2)O)O)O)C6=COC(=O)C=C6)C)C=O)O)OC)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C(CC5(C4CCC3(C2)O)O)O)C6=COC(=O)C=C6)C)C=O)O)OC)O

InChI

InChI=1S/C31H44O11/c1-16-24(35)26(39-3)25(36)27(41-16)42-18-6-10-29(15-32)19-7-9-28(2)23(17-4-5-22(34)40-14-17)21(33)13-31(28,38)20(19)8-11-30(29,37)12-18/h4-5,14-16,18-21,23-27,33,35-38H,6-13H2,1-3H3