UNPD54819
AlkaPlorer ID: AK123146
Synonym: None
IUPAC Name: (1R,3R,6S,8R,11S,12S,15E,16S)-6-(dimethylamino)-15-ethylidene-7,7,11,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
Structure
SMILES: C/C=C1/C(=O)C[C@@]2(C)[C@]3(C)CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]53CC[C@]12C
InChI: InChI=1S/C27H43NO/c1-9-18-19(29)16-25(6)23(18,4)14-15-27-17-26(27)13-11-21(28(7)8)22(2,3)20(26)10-12-24(25,27)5/h9,20-21H,10-17H2,1-8H3/b18-9-/t20-,21-,23+,24-,25+,26+,27-/m0/s1
InChIKey: ZJCQKCYHGHOOCN-YQLZLQRESA-N
Source
Properties Information
Molecule Weight: 397.64700000000033
TPSA？: 20.31
MolLogP？: 6.254900000000007
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
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