6-[[10,13-dimethyl-5,11,14-tris(oxidanyl)-12-oxidanylidene-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one

Systemtic Name: 6-[[10,13-dimethyl-5,11,14-tris(oxidanyl)-12-oxidanylidene-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one Openeye Name: 4-methyl-6-[[5,11,14-trihydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one CAS Name: 4-methyl-6-[[5,11,14-trihydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one IUPAC Name: 4-methyl-6-[[5,11,14-trihydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one Traditional Name: 4-methyl-6-[[5,11,14-trihydroxy-12-keto-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,15-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one Formula: C30H38O11 MolecularWeight: 574.61612

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)C(O1)OC3CCC4(C5C(CCC4(C3)O)C6(CC=C(C6(C(=O)C5O)C)C7=CC(=O)OC7)O)C)OCO2

Isomeric SMILES

CC1C2C(C(=O)C(O1)OC3CCC4(C5C(CCC4(C3)O)C6(CC=C(C6(C(=O)C5O)C)C7=CC(=O)OC7)O)C)OCO2

InChI

InChI=1S/C30H38O11/c1-14-23-24(39-13-38-23)22(33)26(40-14)41-16-4-7-27(2)20-18(5-8-29(27,35)11-16)30(36)9-6-17(15-10-19(31)37-12-15)28(30,3)25(34)21(20)32/h6,10,14,16,18,20-21,23-24,26,32,35-36H,4-5,7-9,11-13H2,1-3H3