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Trachelanthine

CAT: 1410-M24474-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M24474-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trachelanthine is a natural product from Eupatorium fortunei.
CAS Number
510-19-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
301.38
Molecular Formula
C15H27NO5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Trachelanthine

Trachelanthine has been reported in Trachelanthus korolkowii with data available.

CAS Number510-19-0
PubChem CID10523
IUPAC Name[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Molecular FormulaC15H27NO5
Molecular Weight301.38
XLogP0.8
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity402
SMILES
CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O
InChI
InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13+,15-,16?/m1/s1
InChIKey
DLNWZIVYKQXLTN-CGYUPCHJSA-N
Chemical Structure
2D Structure
2D structure of Trachelanthine
CAS: 510-19-0
CID: 10523
Formula: C15H27NO5
MW: 301.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.38
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass301.18892296
Monoisotopic Mass301.18892296
Topological Polar Surface Area84.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5765281Trachelanthine

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