Products 80111-95-1

CAS 80111-95-1 is the registry number for Isariin B. Offered by: MedChemExpress. Available pack sizes: Get quote.

Isariin B
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Isariin B is a cyclodepsipeptide.

Source: ChEBI

Identity
Molecular formulaC30H53N5O7
Molecular weight595.8 g/mol
IUPAC name(3R,6S,9R,12R,19S)-19-hexyl-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
InChIKeyQWBKHPNGPXORRV-WQVMVKNYSA-N
SMILESCCCCCC[C@H]1CC(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: Isariin B
Isomers (same molecular formula)
(3S,6S,9R,12S)-19-hexan-2-yl-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone C30H53N5O7
(3S,6S,9R,12S,19S)-19-[(2S)-hexan-2-yl]-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone C30H53N5O7

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