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Cephalocyclidin A

CAT: 0931-TN3622Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3622Size:5 mg
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CAS Number
421583-14-4
Target
Others
Related Pathways
Others
Bioactivity
Cephalocyclidin A is a natural product of Cephalotaxus, Cephalotaxaceae. The catalog number is TN3622 and the CAS number is 421583-14-4. Cephalocyclidin A can be used as a reference standard.
Smiles
[H][C@@]12[C@@H](O)[C@@H](O)[C@H]3c4cc5OCOc5cc4[C@]1(O)CN1CCC[C@]231 |TLB:14:15:23:4.2,8:7:23:4.2,2:1:6.7.15:19.18,3:2:23:16.7.15,22:23:16.7.15:4.2,THB:17:16:23:4.2,5:4:23:16.7.15,19:23:16.7.15:4.2,18:16:23:4.2|
Molecular Formula
C17H19NO5
Molecular Weight
317.341
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cephalocyclidin A

CID 91885188 has been reported in Cephalotaxus harringtonia with data available.

CAS Number421583-14-4
PubChem CID91885188
IUPAC Name(2S,8R,9R,10R,11S,12S)-16,18-dioxa-4-azahexacyclo[11.7.0.02,9.04,8.08,12.015,19]icosa-1(20),13,15(19)-triene-2,10,11-triol
Molecular FormulaC17H19NO5
Molecular Weight317.34
XLogP-0.5
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity559
SMILES
C1C[C@@]23[C@H]4[C@@H]([C@@H]([C@@H]2[C@@](CN3C1)(C5=CC6=C(C=C45)OCO6)O)O)O
InChI
InChI=1S/C17H19NO5/c19-13-12-8-4-10-11(23-7-22-10)5-9(8)17(21)6-18-3-1-2-16(12,18)15(17)14(13)20/h4-5,12-15,19-21H,1-3,6-7H2/t12-,13+,14+,15+,16-,17-/m1/s1
InChIKey
HZSAQOVOGNCGNL-UTQGOSHXSA-N
Chemical Structure
2D Structure
2D structure of Cephalocyclidin A
CAS: 421583-14-4
CID: 91885188
Formula: C17H19NO5
MW: 317.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.34
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass317.12632271
Monoisotopic Mass317.12632271
Topological Polar Surface Area82.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
WRA58314-01Cephalocyclidin A

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