Staphidine
AlkaPlorer ID: AK033945
Synonym: '', 'Staphidine'
IUPAC Name: (1R,1'R,5R,5'R,9R,11'R,14R,14'S,16S,17'R,18'R,19S,21R)-5,5',7,7'-tetramethylspiro[20-oxa-7-azaheptacyclo[13.6.1.15,9.01,12.04,11.014,16.016,21]tricosa-4(11),12-diene-19,12'-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane]
Structure
SMILES: CN1C[C@@H]2CC3=C(CC[C@@]45CC6[C@@H](C=C34)[C@]63CC[C@@]4(C[C@]67CC[C@@H]8[C@@]9(C)CCC[C@]8%10C(C6C[C@H]4C[C@H]7%10)N(C)C9)O[C@@H]53)[C@@](C)(C2)C1
InChI: InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24-,25+,29-,30?,31?,32-,33-,34?,35+,36+,37+,38-,39-,40+,41-,42+/m1/s1
InChIKey: MIQIFBIWUBAPTB-WNRLEAPDSA-N
Source
Properties Information
Molecule Weight: 606.9390000000002
TPSA？: 15.71
MolLogP？: 7.86550000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 15
Activities Information
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