(1R,10R,11S,14R,15S)-5-methoxy-14-{2-[(5R)-4-methoxy-6-methyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]ethynyl}-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-ol
AlkaPlorer ID: AK588473
Synonym: None
IUPAC Name: (8R,9R,13S,14S,17R)-3-methoxy-17-[2-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Structure
SMILES: COC1=CC=C2C(=C1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#C[C@@H]1C2=C(OC)C3=C(C=C2CCN1C)OCO3
InChI: InChI=1S/C33H39NO5/c1-32-13-9-24-23-8-6-22(36-3)17-20(23)5-7-25(24)26(32)10-14-33(32,35)15-11-27-29-21(12-16-34(27)2)18-28-30(31(29)37-4)39-19-38-28/h6,8,17-18,24-27,35H,5,7,9-10,12-14,16,19H2,1-4H3/t24-,25+,26-,27+,32-,33-/m0/s1
InChIKey: ZATVJUKEEGPYDP-RDLSWJAOSA-N
Source
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Properties Information
Molecule Weight: 529.6770000000004
TPSA？: 60.39
MolLogP？: 5.252300000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
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