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simarolide

simarolide structure

CAS No:
1260-58-8
Formula:
C27H36O9
Chemical Name:
simarolide
Synonyms:
simarolide;DTXSID10925351;NSC320953;NSC-320953;2-Hydroxy-1,16-dioxo-13-(5-oxooxolane-3-carbonyl)picrasan-11-yl acetate;24-Nor-16,17-secocholane-16,23-dioic acid, 11-(acetyloxy)-2,7,21-trihydroxy-4,8-dimethyl-1,17-dioxo-, gamma-lactone delta-lactone, (2alpha,4alpha,5alpha,7alpha,11alpha,13alpha,14beta,20R)-

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simarolide Basic Attributes

Molecular Weight：

504.576

Exact Mass：

504.236

NSC Number：

320953

Characteristics

PSA：

133

XLogP3：

1.6

Drug Information

MeSH Entry Terms：

simarolide

Computed Properties

Molecular Weight:504.6
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:504.23593272
Monoisotopic Mass:504.23593272
Topological Polar Surface Area:133
Heavy Atom Count:36
Complexity:1040
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of simarolide

Basic Attributes
Characteristics
Drug Information
Computed Properties

simarolide

SDS

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