2-[(3R,9R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-16-oxidanyl-11-oxidanylidene-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-propan-2-yl-furan-3-one

Systemtic Name: 2-[(3R,9R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-16-oxidanyl-11-oxidanylidene-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-propan-2-yl-furan-3-one Openeye Name: 2-[(3R,9R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-furan-3-one CAS Name: 2-[(3R,9R,13R,14S,16R,17R)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-propan-2-yl-3-furanone IUPAC Name: 2-[(3R,9R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-propan-2-ylfuran-3-one Traditional Name: 2-[(3R,9R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-16-hydroxy-11-keto-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-furan-3-one Formula: C41H62O14 MolecularWeight: 778.92258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7C(=O)C=C(O7)C(C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CCC4C(=CCC5[C@]4(C(=O)C[C@]6([C@]5(C[C@H]([C@@H]6C7C(=O)C=C(O7)C(C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O

InChI

InChI=1S/C41H62O14/c1-17(2)23-13-21(43)34(52-23)28-22(44)14-39(6)25-11-9-19-20(41(25,8)26(45)15-40(28,39)7)10-12-27(38(19,4)5)54-37-35(32(49)30(47)24(16-42)53-37)55-36-33(50)31(48)29(46)18(3)51-36/h9,13,17-18,20,22,24-25,27-37,42,44,46-50H,10-12,14-16H2,1-8H3/t18-,20?,22+,24+,25?,27+,28+,29-,30+,31+,32-,33+,34?,35+,36-,37-,39-,40+,41-/m0/s1