Cas no 480-83-1 ((+)-Echinatine)

(+)-Echinatine structure
(+)-Echinatine structure
Product Name:(+)-Echinatine
CAS No:480-83-1
MF:C15H25NO5
MW:299.362704992294
CID:931777
Update Time:2025-04-19

(+)-Echinatine Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-(1.α.,7(2R,3S),7a.α.)]-
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro- 1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1alpha,7(2R*,3R*),7aal pha]]-
    • Echinatine
    • (2S,3S)-2,3-Dihydroxy-2-isopropyl-buttersaeure-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethylester)
    • (2S,3S)-2,3-Dihydroxy-2-isopropylbutyric acid [(5R,6S)-6-hydroxy-1-azabicyclo[3.3.0]
    • (2S,3S)-2,3-Dihydroxy-2-isopropylbutyric acid [(5R,6S)-6-hydroxy-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl ester
    • (2S,3S)-2,3-dihydroxy-2-isopropyl-butyric acid-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester)
    • (+)-Echinatine
    • Inchi： 1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
    • InChI Key： SFVVQRJOGUKCEG-DNVSUFBTSA-N
    • SMILES： O[C@H]1CCN2CC=C(COC([C@@]([C@H](C)O)(C(C)C)O)=O)[C@@H]21

Computed Properties

  • Exact Mass: 299.17300
  • Monoisotopic Mass: 299.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 436
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.2A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.26
  • Boiling Point: 463.3°C at 760 mmHg
  • Flash Point: 234°C
  • Refractive Index: 1.567
  • PSA: 90.23000
  • LogP: -0.38940

(+)-Echinatine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E325623-1mg
(+)-Echinatine
 480-83-1
1mg
 $333.00 2023-05-18
TRC
E325623-5mg
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 $1435.00 2023-05-18
TRC
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 $ 11200.00 2023-09-07
PhytoLab
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 480-83-1 ≥ 90.0 %
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 €2812.5 2023-10-25
PhytoLab
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Echinatine sulfate
 480-83-1 ≥ 90.0 %
250mg
 €13281.25 2023-10-25
PhytoLab
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 480-83-1 ≥ 90.0 %
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 €25000 2023-10-25
PhytoLab
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 480-83-1 ≥ 90.0 %
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 €46875 2023-10-25
A2B Chem LLC
AG32686-500mg
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro- 1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1alpha,7(2R*,3R*),7aal pha]]-
 480-83-1 98% by HPLC
500mg
 $20902.00 2024-04-19
A2B Chem LLC
AG32686-1000mg
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro- 1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1alpha,7(2R*,3R*),7aal pha]]-
 480-83-1 98% by HPLC
1000mg
 $33425.00 2024-04-19

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