(3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-azido-17-ethanoyl-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

Systemtic Name: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-azido-17-ethanoyl-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Openeye Name: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one CAS Name: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one IUPAC Name: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Traditional Name: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)O)N=[N+]=[N-]

Isomeric SMILES

CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)N=[N+]=[N-]

InChI

InChI=1S/C21H31N3O4/c1-11(25)21(23-24-22)17(28)9-15-14-5-4-12-8-13(26)6-7-19(12,2)18(14)16(27)10-20(15,21)3/h12-15,17-18,26,28H,4-10H2,1-3H3/t12-,13-,14-,15-,17+,18+,19-,20-,21+/m0/s1