13-Dehydroxyl pyripyropene A
AlkaPlorer ID: AK053454
Synonym: '13-Dehydroxyl pyripyropene A'
IUPAC Name: [(1R,2S,5S,6R,7R,9S,10S)-5,9-diacetyloxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)OC4=C(C[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O)C(=O)OC(C1=CC=CN=C1)=C4
InChI: InChI=1S/C31H37NO9/c1-17(33)37-16-30(5)24-14-27(39-19(3)35)31(6)25(29(24,4)10-9-26(30)38-18(2)34)12-21-23(41-31)13-22(40-28(21)36)20-8-7-11-32-15-20/h7-8,11,13,15,24-27H,9-10,12,14,16H2,1-6H3/t24-,25-,26+,27+,29+,30+,31+/m1/s1
InChIKey: CUYKZBWMGHLTKQ-XOPQWMTMSA-N
Reference
PubChem CID: 156580565
Source
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Properties Information
Molecule Weight: 567.6350000000004
TPSA？: 131.23
MolLogP？: 4.264400000000004
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 5
Activities Information
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