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  2. 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid,2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester,(9S,10R,12R)-

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid,2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester,(9S,10R,12R)-

O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@]1(O[C@@H]3C[C@]1(O)C(=O)[OH3])C Request for Quotation
Chemical Name: 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid,2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester,(9S,10R,12R)-
CAS Number: 99533-80-9
Product Number: AG00655S(AGN-PC-0W9I50)
Synonyms:
MDL No: MFCD00161522
Molecular Formula: C26H21N3O5
Molecular Weight: 455.4620

Identification/Properties

Properties
MP:
262-273℃ (decomposition) (methanol )
Storage:
-10 ℃;
Form:
Solid
Solubility:
DMF: 1 mg/mL
Computed Properties
Molecular Weight:
467.481g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
467.148g/mol
Monoisotopic Mass:
467.148g/mol
Topological Polar Surface Area:
94.7A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
977
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


In chemical synthesis, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9S,10R,12R) serves as a versatile building block for creating complex molecules. Its unique structure and reactivity make it a valuable tool in the construction of intricate organic frameworks. By serving as a starting material or intermediate in various reactions, this compound enables the synthesis of new compounds with potentially useful properties. Its specific stereochemistry and functional groups offer opportunities for selective chemical transformations leading to the creation of novel chemical entities.