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

Systemtic Name: (3S,8R,9S,10S,13R,14R,17R)-3-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-14-methoxy-13-methyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (3S,8R,9S,10S,13R,14R,17R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-methoxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (3S,8R,9S,10S,13R,14R,17R)-3-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-14-methoxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (3S,8R,9S,10S,13R,14R,17R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-methoxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (3S,8R,9S,10S,13R,14R,17R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-17-(5-keto-2H-furan-3-yl)-14-methoxy-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Formula: C35H50O14 MolecularWeight: 694.7631

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)OC)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@]1(CC[C@@H]2C4=CC(=O)OC4)OC)CCC5=C[C@H](CC[C@]35C=O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O

InChI

InChI=1S/C35H50O14/c1-33-8-6-21-22(35(33,44-2)10-7-20(33)17-11-25(38)45-14-17)4-3-18-12-19(5-9-34(18,21)16-37)47-31-29(42)27(40)24(15-46-31)49-32-30(43)28(41)26(39)23(13-36)48-32/h11-12,16,19-24,26-32,36,39-43H,3-10,13-15H2,1-2H3/t19-,20+,21-,22+,23+,24+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+/m0/s1