Vanilloylzygadenine

[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate

CAS: 67370-01-8

Molecular Formula	`C35H49NO10`
Molecular Weight	643.8 g/mol
LogP	1.8
Topological Polar Surface Area	169.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	643.33563
Heavy Atoms	46
Complexity	1250.0

Chemical Identifiers

CAS Number	67370-01-8
SMILES	`CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)O)OC)C)(C)O`
InChIKey	`NIEIJAOPLMFSMK-OYYCYGOVSA-N`

📖 Product Overview

Vanilloylzygadenine (CAS: 67370-01-8) is a chemical compound with molecular formula C35H49NO10 and molecular weight 643.8 g/mol. Its IUPAC systematic name is [(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate. LogP 1.8 Topological Polar Surface Area 169.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 643.33563 Heavy Atoms 46 Complexity 1250.0 InChI Key: NIEIJAOPLMFSMK-OYYCYGOVSA-N. SMILES: CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)O)OC)C)(C)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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