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CAS 63722-91-8

:

(3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one

Description:
The chemical substance with the name "(3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one" and CAS number "63722-91-8" is a complex organic compound characterized by its intricate polycyclic structure and multiple stereocenters, which contribute to its specific three-dimensional configuration. This compound features a dodecahydro framework, indicating a saturated structure with numerous hydrogen atoms, and includes functional groups such as a hydroxyl group and an epoxy group, which can influence its reactivity and solubility. The presence of multiple methyl groups suggests potential hydrophobic characteristics, while the benzoxepine and indole moieties may impart biological activity. Such compounds are often of interest in medicinal chemistry and natural product synthesis due to their potential pharmacological properties. The stereochemistry is crucial for determining the compound's interactions with biological targets, making it a subject of study in fields such as drug design and development.
Formula:C27H31NO4
InChI:InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChI key:InChIKey=BPTIXFRJAOKMRK-SAMRHTEJSA-N
SMILES:C[C@@]12[C@]3(C)[C@](O)(C=4[C@@]5(CC3)O[C@@](C(=O)C4)(C(C)(C)O5)[H])CC[C@]1(CC6=C2NC=7C6=CC=CC7)[H]
Synonyms:
  • 4H-3,15a-Epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, [3R-(3α,5bα,7aβ,13bα,13cβ,15aα)]-
  • Paspalinine
  • (3R,5bS,7aS,13bS,13cR,15aS)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-Dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-4H-3,15a-epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one
  • Paspalinin
  • 4H-3,15a-Epoxy-1-benzoxepino[6′,7′:6,7]indeno[1,2-b]indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, (3R,5bS,7aS,13bS,13cR,15aS)-
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Found 3 products.
  • Paspalinine
    Targetmol
    + Info

    Paspalinine

    CAS:
    <p>Paspalinine blocks ChTX binding to bovine maxi-K channels and inhibits GABAA, causing tremors.</p>
    Formula:C27H31NO4
    Purity:98%
    Color and Shape:Solid
    Molecular weight:433.548

    Ref: TM-TN5608

  • Paspalinine
    Biopurify
    + Info

    Paspalinine

    CAS:
    Formula:C27H31NO4
    Purity:95%~99%
    Molecular weight:433.548

    Ref: BP-SBP04383

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    To inquire
  • Paspalinine
    Biosynth
    + Info

    Paspalinine

    CAS:
    <p>Paspalinine is a mycotoxin, which is a naturally occurring toxic compound. It is produced by certain fungi, specifically within the genera of Aspergillus and Penicillium, which often proliferate in damp or improperly stored agricultural products. The mode of action of paspalinine involves interference with cellular biochemical pathways, potentially disrupting normal cellular functions due to its interaction with specific cellular receptors or enzymes.</p>
    Formula:C27H31NO4
    Purity:Min. 95%
    Molecular weight:433.5 g/mol

    Ref: 3D-NCA72291

    5mg
    757.00€
    10mg
    1,142.00€
    25mg
    1,861.00€
    50mg
    2,900.00€