2,3-bis(oxidanyl)propyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate

Systemtic Name: 2,3-bis(oxidanyl)propyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Openeye Name: 2,3-dihydroxypropyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate CAS Name: carbonic acid 2,3-dihydroxypropyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: 2,3-dihydroxypropyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Traditional Name: carbonic acid [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-keto-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] glyceryl ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2(C#C)OC(=O)OCC(CO)O)CCC4=CC(=O)CCC34

Isomeric SMILES

CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)OC(=O)OCC(CO)O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C25H34O6/c1-3-24-11-9-20-19-8-6-17(27)13-16(19)5-7-21(20)22(24)10-12-25(24,4-2)31-23(29)30-15-18(28)14-26/h2,13,18-22,26,28H,3,5-12,14-15H2,1H3/t18?,19-,20+,21+,22-,24?,25?/m0/s1