(1R,2R,5R,7S,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-13-oxa-18-azatetracyclo[9.8.0.0¹,¹⁶.0¹²,¹⁴]nonadeca-3,9-dien-2-yl acetate
AlkaPlorer ID: AK499998
Synonym: None
IUPAC Name: (1R,2R,5R,7S,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-13-oxa-18-azatetracyclo[9.8.0.0¹,¹⁶.0¹²,¹⁴]nonadeca-3,9-dien-2-yl acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]312
InChI: InChI=1S/C30H39NO5/c1-18-10-9-13-22-26-29(5,36-26)19(2)25-23(16-21-11-7-6-8-12-21)31-27(33)30(22,25)24(35-20(3)32)14-15-28(4,34)17-18/h6-9,11-15,18-19,22-26,34H,10,16-17H2,1-5H3,(H,31,33)/b13-9-,15-14-/t18-,19-,22-,23-,24+,25-,26-,28-,29+,30+/m0/s1
InChIKey: QHZKOXCMCJMHJE-ILIZJMQPSA-N
Reference
PubChem CID: 53316350
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Amphisphaeriaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 493.6440000000002
TPSA？: 91.65
MolLogP？: 4.818800000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|