(8R,9S,10S,13R,14S,17R)-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-3-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Systemtic Name: (8R,9S,10S,13R,14S,17R)-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-3-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Formula: C28H38O9 MolecularWeight: 518.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)O)O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5=CC(CC[C@]35C=O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O

InChI

InChI=1S/C28H38O9/c1-26-7-5-19-20(28(26,34)9-6-18(26)15-10-22(31)35-12-15)3-2-16-11-17(4-8-27(16,19)14-29)37-25-24(33)23(32)21(30)13-36-25/h10-11,14,17-21,23-25,30,32-34H,2-9,12-13H2,1H3/t17?,18-,19+,20-,21-,23+,24-,25+,26-,27-,28+/m1/s1