5-N-acetyl-8-isopropylardeemin
AlkaPlorer ID: AK039676
Synonym: None
IUPAC Name: (1S,12R,15R,23R)-16-acetyl-23-(2-methylbut-3-en-2-yl)-12-propan-2-yl-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C[C@H]3C4=NC5=CC=CC=C5C(=O)N4[C@H](C(C)C)C(=O)N3[C@@H]1N(C(C)=O)C1=CC=CC=C12
InChI: InChI=1S/C30H32N4O3/c1-7-29(5,6)30-16-23-25-31-21-14-10-8-12-19(21)26(36)34(25)24(17(2)3)27(37)33(23)28(30)32(18(4)35)22-15-11-9-13-20(22)30/h7-15,17,23-24,28H,1,16H2,2-6H3/t23-,24+,28-,30+/m0/s1
InChIKey: KQMADIVDSZQPHC-UFPVPOCKSA-N
Source
Properties Information
Molecule Weight: 496.6110000000002
TPSA？: 75.51
MolLogP？: 4.723400000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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