(8S,9S,10S,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(E)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2-(oxan-2-yloxy)-16-oxidanyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: (8S,9S,10S,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(E)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2-(oxan-2-yloxy)-16-oxidanyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione Openeye Name: (8S,9S,10S,13R,14S,16R,17R)-17-[(E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-tetrahydropyran-2-yloxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione CAS Name: (8S,9S,10S,13R,14S,16R,17R)-17-[(E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-(2-oxanyloxy)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione IUPAC Name: (8S,9S,10S,13R,14S,16R,17R)-17-[(E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-(oxan-2-yloxy)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione Traditional Name: (8S,9S,10S,13R,14S,16R,17R)-17-[(E)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-tetrahydropyran-2-yloxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-quinone Formula: C35H50O8 MolecularWeight: 598.7667

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)OC5CCCCO5)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C

Isomeric SMILES

C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@]3([C@H]2CC=C4[C@@H]3C=C(C(=O)C4(C)C)OC5CCCCO5)C)C)C(C)(C(=O)/C=C/C(C)(C)O)O)O

InChI

InChI=1S/C35H50O8/c1-30(2,40)15-14-25(37)35(8,41)28-22(36)18-32(5)24-13-12-20-21(34(24,7)26(38)19-33(28,32)6)17-23(29(39)31(20,3)4)43-27-11-9-10-16-42-27/h12,14-15,17,21-22,24,27-28,36,40-41H,9-11,13,16,18-19H2,1-8H3/b15-14+/t21-,22+,24-,27?,28-,32-,33+,34+,35?/m0/s1