Products 235097-64-0

CAS 235097-64-0 appears in our catalog under these names: Decatromicin B, Decatromicin B. Offered by: GLPBio, MedChemExpress. Available pack sizes: 2,5mg, 500μg, Get quote.

Decatromicin B
GLPBio
  • size: 2,5mg, 500μg
  • Variants: 2
from 2810.92
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Decatromicin B
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1S,3S,6R,7Z,10E,13R,16S,17S,18S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid (CAS 235097-64-0) is a chemical compound with the molecular formula C45H56Cl2N2O10 and a molecular weight of 855.8 g/mol. IUPAC name: (1S,3S,6R,7Z,10E,13R,16S,17S,18S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid. InChIKey: UYAXASMGHNZATD-KUDIZNKESA-N.

Identity
Molecular formulaC45H56Cl2N2O10
Molecular weight855.8 g/mol
IUPAC name(1S,3S,6R,7Z,10E,13R,16S,17S,18S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid
InChIKeyUYAXASMGHNZATD-KUDIZNKESA-N
SMILESCC[C@H]1C[C@@]23C(=O)C(=C([C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C\[C@@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=C(N7)Cl)Cl)O)C)CC)O)C(=O)O3

Computed by PubChem (NCBI)

Synonyms: Decatromicin B