3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-2,2-dimethyl-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Systemtic Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-2,2-dimethyl-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one CAS Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Formula: C32H48O9 MolecularWeight: 576.71812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2C(O1)C(C(C(O2)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)O)O)C

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H](C7[C@H](O6)COC(O7)(C)C)O)O

InChI

InChI=1S/C32H48O9/c1-29(2)38-16-23-27(41-29)25(34)26(35)28(40-23)39-19-7-10-30(3)18(14-19)5-6-22-21(30)8-11-31(4)20(9-12-32(22,31)36)17-13-24(33)37-15-17/h13,18-23,25-28,34-36H,5-12,14-16H2,1-4H3/t18-,19+,20-,21+,22-,23-,25-,26-,27?,28-,30+,31-,32?/m1/s1