Cyclomicrobuxeine
AlkaPlorer ID: AK193864
Synonym: 'Cyclomicrobuxeine K'
IUPAC Name: 1-[(1S,3R,6S,8R,11R,12S,16S)-6-(dimethylamino)-12,16-dimethyl-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethanone
Structure
SMILES: C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@H]4CC[C@@H]13
InChI: InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3/t18-,20-,21+,22+,23-,24+,25-/m0/s1
InChIKey: PHBLQXXYZFXKQX-CZHOBXFTSA-N
Source
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Properties Information
Molecule Weight: 367.5770000000001
TPSA？: 20.31
MolLogP？: 5.394800000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
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