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CAS 865-04-3

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Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-

Description:
Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, with the CAS number 865-04-3, is a complex organic compound derived from the yohimban alkaloid family. This substance features a yohimban backbone, characterized by a tetracyclic structure that includes a fused indole and a cyclohexane ring. The presence of multiple methoxy groups contributes to its lipophilicity and potential biological activity. The carboxylic acid moiety indicates that it can participate in various chemical reactions, such as esterification or amidation. The compound's methyl ester form suggests enhanced stability and solubility, which may facilitate its use in pharmacological applications. Yohimban derivatives are often studied for their effects on the central nervous system, particularly in relation to their adrenergic and serotonergic activity. Overall, this compound's unique structural features and functional groups make it a subject of interest in medicinal chemistry and pharmacology.
Formula:C33H40N2O9
InChI:InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1
InChI key:InChIKey=ULBNWNUHGJLQHO-VKMIBBQISA-N
SMILES:C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C=5C(N4)=CC=C(OC)C5)CCN3C[C@]2(C[C@@H](OC(=O)C6=CC(OC)=C(OC)C(OC)=C6)[C@@H]1OC)[H])[H])[H]
Synonyms:
  • Deaserpyl
  • Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
  • Deserpidine, 10-methoxy-
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-10,17α-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
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