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

Systemtic Name: (3S,5S,10S,13R,14S)-3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (3S,5S,10S,13R,14S)-5,14-dihydroxy-3-[(2R,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (3S,5S,10S,13R,14S)-5,14-dihydroxy-3-[[(2R,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (3S,5S,10S,13R,14S)-5,14-dihydroxy-3-[(2R,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (3S,5S,10S,13R,14S)-5,14-dihydroxy-3-[(2R,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Formula: C36H54O15 MolecularWeight: 726.80496

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC)OC7C(C(C(C(O7)CO)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5(C(CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C36H54O15/c1-17-29(51-31-27(42)26(41)25(40)23(14-37)50-31)30(46-3)28(43)32(48-17)49-19-4-9-34(16-38)21-5-8-33(2)20(18-12-24(39)47-15-18)7-11-36(33,45)22(21)6-10-35(34,44)13-19/h12,16-17,19-23,25-32,37,40-45H,4-11,13-15H2,1-3H3/t17-,19+,20?,21?,22?,23-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36+/m1/s1