BREVETOXIN PbTx-1

Name: BREVETOXIN PbTx-1
Brand: CoreyChem
SKU: CAS:98112-41-5
Price: Contact for pricing USD
Availability: InStock

2-[(41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal

Also Known As: BREVETOXIN PbTx-1

CAS: 98112-41-5

Molecular Formula	`C49H70O13`
Molecular Weight	866.4816 g/mol
LogP	5.95
Topological Polar Surface Area	146.67 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	13
Rotatable Bonds	3
Exact Mass	866.4816
Heavy Atoms	62
Complexity	1719.0

Chemical Identifiers

CAS Number	98112-41-5
SMILES	`CC1CC2C(CC(=O)O2)OC3CC4C(CC(C5C(O4)CC=CCC6C(O5)CC=CC7C(O6)CCCC8C(O7)(CC9C(O8)CC2C(O9)C(CC(O2)CC(=C)C=O)O)C)C)OC3(C1)C`

Product Overview

BREVETOXIN PbTx-1 (CAS 98112-41-5), with molecular formula C49H70O13 and molecular weight 866.4816 g/mol. IUPAC: 2-[(41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal.

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