BRN 5233750

[3,4,5-triacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]oxan-2-yl]methyl acetate

CAS: 66568-83-0

Molecular Formula	`C34H41NO13S`
Molecular Weight	703.8 g/mol
LogP	1.5
Topological Polar Surface Area	197.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	15
Rotatable Bonds	15
Exact Mass	703.22986
Heavy Atoms	49
Complexity	1360.0

Chemical Identifiers

CAS Number	66568-83-0
SMILES	`CC(=O)OCC1C(C(C(C(O1)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C`
InChIKey	`DINYYSXLAGRWQI-UHFFFAOYSA-N`

📖 Product Overview

BRN 5233750 (CAS: 66568-83-0) is a chemical compound with molecular formula C34H41NO13S and molecular weight 703.8 g/mol. Its IUPAC systematic name is [3,4,5-triacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]oxan-2-yl]methyl acetate. LogP 1.5 Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 15 Rotatable Bonds 15 Exact Mass 703.22986 Heavy Atoms 49 Complexity 1360.0 InChI Key: DINYYSXLAGRWQI-UHFFFAOYSA-N. SMILES: CC(=O)OCC1C(C(C(C(O1)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C.

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