 Home > Encyclopedia > 5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one

5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one

5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one structure

CAS No:
96819-80-6
Formula:
C25H32O6
Chemical Name:
5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one
Synonyms:
Abyssinol B;96819-80-6;DTXSID00914294;5,19-Dihydroxy-15-methoxy-3,4-epoxybufa-14,20,22-trienolide

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5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one Basic Attributes

Molecular Weight：

428.5 g/mol

Exact Mass：

428.21988874 g/mol

Characteristics

PSA：

88.5 Å²

Computed Properties

Molecular Weight:428.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:428.21988874
Monoisotopic Mass:428.21988874
Topological Polar Surface Area:88.5
Heavy Atom Count:31
Complexity:919
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one

Basic Attributes
Characteristics
Computed Properties

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