[(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyethanoate

Systemtic Name: [(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyethanoate Openeye Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C27H38O8 MolecularWeight: 490.58582

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O

Isomeric SMILES

CCOCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O

InChI

InChI=1S/C27H38O8/c1-3-33-15-23(30)35-18-4-9-25(16-28)20-5-8-24(2)19(17-12-22(29)34-14-17)7-11-27(24,32)21(20)6-10-26(25,31)13-18/h12,16,18-21,31-32H,3-11,13-15H2,1-2H3/t18-,19+,20?,21?,24+,25-,26-,27-/m0/s1