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CAS 23291-96-5

:

(3R,4R,5R,13aR)-4,5,8,12,13,13a-Hexahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

Description:
The chemical substance with the name "(3R,4R,5R,13aR)-4,5,8,12,13,13a-Hexahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione" and CAS number "23291-96-5" is a complex organic compound characterized by its unique bicyclic structure, which includes multiple stereocenters contributing to its chirality. This compound features a dioxacycloundecino framework, indicating the presence of oxygen atoms within its cyclic structure, which can influence its reactivity and interactions. The presence of hydroxyl groups suggests potential for hydrogen bonding, affecting solubility and biological activity. The trimethyl groups indicate a degree of steric hindrance, which may impact the compound's conformation and reactivity. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. Additionally, the specific stereochemistry plays a crucial role in determining the compound's biological activity and interactions with biological targets. Overall, this substance exemplifies the complexity and diversity found in organic chemistry, particularly in the realm of natural product derivatives.
Formula:C16H21NO6
InChI:InChI=1S/C16H21NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,6,9,11,20-21H,5,7-8H2,1-3H3/t9-,11+,15+,16-/m0/s1
InChI key:InChIKey=ZONSVLURFASOJK-LLAGZRPASA-N
SMILES:O=C1O[C@]2(C=3N(CC2)C=CC3COC(=O)[C@](C)(O)[C@](C)(O)[C@H]1C)[H]
Synonyms:
  • (3R,4R,5R,13aR)-4,5,8,12,13,13a-Hexahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR)-
  • Monocrotaline, 3,8-didehydro-
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3R-(3R*,4R*,5R*,13aR*)]-
  • 20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13α,14α)-
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Found 3 products.
  • Dehydromonocrotaline
    Targetmol
    + Info

    Dehydromonocrotaline

    CAS:
    Dehydromonocrotaline (Monocrotaline pyrrole) is a metabolite of Monocrotaline. It acts as an alkylating agent, capable of reacting with DNA, exhibiting cytotoxicity, and causing damage to both the liver and lungs.
    Formula:C16H21NO6
    Color and Shape:Solid
    Molecular weight:323.341

    Ref: TM-TN8945

    10mg
    To inquire
    50mg
    To inquire
  • Dehydro Monocrotaline
    TLC
    + Info

    Dehydro Monocrotaline

    CAS:
    Formula:C16H21NO6
    Color and Shape:Off-White Solid
    Molecular weight:323.35

    Ref: 4Z-M-167002

    5mg
    To inquire
    10mg
    910.00€
    25mg
    1,638.00€
    50mg
    2,366.00€
    100mg
    To inquire
  • Dehydro Monocrotaline, 90%
    TRC
    + Info

    Dehydro Monocrotaline, 90%

    Controlled Product
    CAS:

    Stability Light, Moisture and Temperature Sensitive
    Applications A metabolite of the potent hepatotoxin Monocrotaline.
    Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
    References Mattocks, A.R.: J.C.S., 8, 1155 (1969), Tepe, J.J. and Williams, R.M.: JACS, 121, 13, 2951 (1999)

    Formula:C16H21NO6
    Purity:90%
    Color and Shape:Neat
    Molecular weight:323.34

    Ref: TR-D229750

    50mg
    4,951.00€