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72040-27-8

72040-27-8 structural image
Product Name: Spiro[3aH-6,11b-methano-3H-benzo[e]furo[3,4-c]oxocin-9(10H),3'(6'H)-[2H]pyran]-1,4,6'-trione, 6,7,11,11a-tetrahydro-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-, (3R,3'R,3aR,6S,7S,11aS,11bR)-
Formula: C25H30O8
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COMPUTED DESCRIPTORS

Molecular Weight 458.5 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 0
Exact Mass 458.19406791 g/mol
Monoisotopic Mass 458.19406791 g/mol
Topological Polar Surface Area 119 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 1120
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Unii-6Z34580guz is a natural product found in Aspergillus stellatus, Aspergillus nidulans, and Aspergillus ustus with data available.