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Onetine

CAT: 0931-TN4710-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4710-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41451-67-6
Target
Others
Related Pathways
Others
Bioactivity
Onetine is a natural product for research related to life sciences. The catalog number is TN4710 and the CAS number is 41451-67-6.
Smiles
O=C1OCC2=CCN(C)CCC(OC(=O)C(O)(CC(C)C1(O)C)C(O)C)C2=O
Molecular Formula
C19H29NO8
Molecular Weight
399.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,7-Dihydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione

4,7-Dihydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione has been reported in Senecio pterophorus with data available.

CAS Number41451-67-6
PubChem CID3713463
IUPAC Name4,7-dihydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Molecular FormulaC19H29NO8
Molecular Weight399.4
XLogP0.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity677
SMILES
CC1CC(C(=O)OC2CCN(CC=C(C2=O)COC(=O)C1(C)O)C)(C(C)O)O
InChI
InChI=1S/C19H29NO8/c1-11-9-19(26,12(2)21)17(24)28-14-6-8-20(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,21,25-26H,6-10H2,1-4H3
InChIKey
OCDRLZFZBHZTKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,7-Dihydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
CAS: 41451-67-6
CID: 3713463
Formula: C19H29NO8
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass399.18931688
Monoisotopic Mass399.18931688
Topological Polar Surface Area134 Ų
Heavy Atom Count28
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N8709Onetine

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