(+)-Axillaridine A
AlkaPlorer ID: AK004531
Synonym: ''
IUPAC Name: N-[(5S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]benzamide
Structure
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(=O)C(N=C(O)C5=CC=CC=C5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
InChI: InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25+,29+,30+/m0/s1
InChIKey: ZMAOKPMWBVUQPK-DGIAMFLGSA-N
Source
Properties Information
Molecule Weight: 462.6780000000003
TPSA？: 52.9
MolLogP？: 6.273000000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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