[(1S,2S,5S,7S,10R,11R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-ylidene]aminothiourea
AlkaPlorer ID: AK051562
Synonym: None
IUPAC Name: [(Z)-[(3S,5S,8R,9S,10S,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]amino]thiourea
Structure
SMILES: C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]3CC/C(=N\NC(N)=S)[C@@]3(C)CC[C@@H]12
InChI: InChI=1S/C20H33N3OS/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h12-16,24H,3-11H2,1-2H3,(H3,21,23,25)/b22-17+/t12-,13-,14-,15+,16-,19-,20-/m0/s1
InChIKey: LYALGFDSSRNLPA-BGKBCIBWSA-N
Source
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Properties Information
Molecule Weight: 363.57100000000014
TPSA？: 70.64
MolLogP？: 3.579200000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 4
Activities Information
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