3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-11b-methyl-10-methylidene-6b-oxidanyl-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

Systemtic Name: 3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-11b-methyl-10-methylidene-6b-oxidanyl-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one Openeye Name: 3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one CAS Name: 3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6b-hydroxy-11b-methyl-10-methylene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one Traditional Name: 3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one Formula: C35H52O13 MolecularWeight: 680.77958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CC5C4(CCC(C5=C)C6=CC(=O)OC6)O)C)O)O)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([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]5[C@@]4(CC[C@@H](C5=C)C6=CC(=O)OC6)O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C35H52O13/c1-15-20(17-10-25(37)44-14-17)7-9-35(43)21-5-4-18-11-19(6-8-34(18,3)23(21)12-22(15)35)46-32-30(42)28(40)31(16(2)45-32)48-33-29(41)27(39)26(38)24(13-36)47-33/h10,16,18-24,26-33,36,38-43H,1,4-9,11-14H2,2-3H3/t16-,18+,19-,20-,21+,22+,23-,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35-/m0/s1