[3-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2,3-bis(oxidanyl)propyl] [(3S,10R,13S)-10,13-dimethyl-7,17-bis(oxidanylidene)-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate

Systemtic Name: [3-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2,3-bis(oxidanyl)propyl] [(3S,10R,13S)-10,13-dimethyl-7,17-bis(oxidanylidene)-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Openeye Name: [3-(4,5-dihydroxy-3-oxo-2-furyl)-2,3-dihydroxy-propyl] [(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate CAS Name: [3-(4,5-dihydroxy-3-oxo-2-furanyl)-2,3-dihydroxypropyl] [(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate IUPAC Name: [3-(4,5-dihydroxy-3-oxofuran-2-yl)-2,3-dihydroxypropyl] [(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Traditional Name: [3-(4,5-dihydroxy-3-keto-2-furyl)-2,3-dihydroxy-propyl] [(3S,10R,13S)-7,17-diketo-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate Formula: C26H35O12P MolecularWeight: 570.522661

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)C(=O)C=C4C3(CCC(C4)OP(=O)(O)OCC(C(C5C(=O)C(=C(O5)O)O)O)O)C

Isomeric SMILES

C[C@]12CCC3C(C1CCC2=O)C(=O)C=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)OCC(C(C5C(=O)C(=C(O5)O)O)O)O)C

InChI

InChI=1S/C26H35O12P/c1-25-7-5-13(38-39(34,35)36-11-17(28)20(30)23-21(31)22(32)24(33)37-23)9-12(25)10-16(27)19-14-3-4-18(29)26(14,2)8-6-15(19)25/h10,13-15,17,19-20,23,28,30,32-33H,3-9,11H2,1-2H3,(H,34,35)/t13-,14?,15?,17?,19?,20?,23?,25-,26-/m0/s1