(1S,13S,16S,17R)-17-(acetyloxy)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2(10),3,8-trien-16-yl acetate
AlkaPlorer ID: AK366545
Synonym: None
IUPAC Name: (17-acetyloxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-16-yl) acetate
Structure
SMILES: COC1=C2CN3CCC4(C2=CC2=C1OCO2)C(OC(C)=O)C(OC(C)=O)CCC34
InChI: InChI=1S/C21H25NO7/c1-11(23)28-15-4-5-17-21(20(15)29-12(2)24)6-7-22(17)9-13-14(21)8-16-19(18(13)25-3)27-10-26-16/h8,15,17,20H,4-7,9-10H2,1-3H3
InChIKey: DKPKNLDZUOGWFB-UHFFFAOYSA-N
Reference
Alkaloidal constituents of Crinum latifolium and Crinum bulbispermum (amaryllidaceae).
PubChem CID: 541341
CAS: 1354-75-2
LOTUS: LTS0170960
COCONUT: CNP0403994.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brunsvigia orientalis | Brunsvigia | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.4310000000002
TPSA？: 83.53
MolLogP？: 1.9068
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|