(1S,2R,5S,10R,11S,13R,14R,15S)-5-hydroxy-2,15-dimethyl-14-[(1S)-1-[(2S,5S)-5-methylpiperidin-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl acetate
AlkaPlorer ID: AK012672
Synonym: None
IUPAC Name: [(3S,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-10,13-dimethyl-17-[(1S)-1-[(2S,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@@H]1CC[C@H](C)CN1
InChI: InChI=1S/C29H47NO3/c1-17-6-9-25(30-16-17)18(2)27-26(33-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,30,32H,6,8-16H2,1-5H3/t17-,18+,21-,22-,23-,24-,25-,26+,27-,28-,29-/m0/s1
InChIKey: ZVYUDNWAHWVPPN-UQNSYSFMSA-N
Source
Properties Information
Molecule Weight: 457.6990000000003
TPSA？: 58.56
MolLogP？: 5.492100000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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