InChI: | InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 |
Specification: |
Descriptors Computed from Structure about Androstan-3-one, 17-hydroxy-, (5-beta,17-beta)- (9CI)(CAS NO.571-22-2) is:
Canonical SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
Isomeric SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey: NVKAWKQGWWIWPM-MISPCMORSA-N
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