(8S,9R,10R,13R,14S,16R)-3-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9,13,14-tetramethyl-17-[(2R)-6-methyl-2,3-bis(oxidanyl)hept-6-en-2-yl]-16-oxidanyl-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-dione

Systemtic Name: (8S,9R,10R,13R,14S,16R)-3-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9,13,14-tetramethyl-17-[(2R)-6-methyl-2,3-bis(oxidanyl)hept-6-en-2-yl]-16-oxidanyl-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-dione Openeye Name: (8S,9R,10R,13R,14S,16R)-17-[(1R)-1,2-dihydroxy-1,5-dimethyl-hex-5-enyl]-16-hydroxy-4,9,13,14-tetramethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-dione CAS Name: (8S,9R,10R,13R,14S,16R)-17-[(2R)-2,3-dihydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-4,9,13,14-tetramethyl-3-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-dione IUPAC Name: (8S,9R,10R,13R,14S,16R)-17-[(2R)-2,3-dihydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-4,9,13,14-tetramethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-dione Traditional Name: (8S,9R,10R,13R,14S,16R)-17-[(1R)-1,2-dihydroxy-1,5-dimethyl-hex-5-enyl]-16-hydroxy-4,9,13,14-tetramethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,11-quinone Formula: C35H52O11 MolecularWeight: 648.78078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(CCC(=C)C)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

CC1=C(C(=O)C[C@@H]2C1=CC[C@@H]3[C@]2(C(=O)C[C@]4([C@]3(C[C@H](C4[C@](C)(C(CCC(=C)C)O)O)O)C)C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C35H52O11/c1-16(2)8-11-24(39)35(7,44)30-21(38)13-32(4)23-10-9-18-17(3)29(46-31-28(43)27(42)26(41)22(15-36)45-31)20(37)12-19(18)34(23,6)25(40)14-33(30,32)5/h9,19,21-24,26-28,30-31,36,38-39,41-44H,1,8,10-15H2,2-7H3/t19-,21-,22-,23+,24?,26-,27+,28-,30?,31?,32+,33-,34+,35+/m1/s1