 Home > Encyclopedia > (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone structure

CAS No:
102989-24-2
Formula:
C37H66O7
Chemical Name:
(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
Synonyms:
2(5H)-Furanone,3-[(2R,13R)-2,13-dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-,(5S)-;2(5H)-Furanone,3-[2,13-dihydroxy-13-[octahydro-5′-(1-hydroxyundecyl)[2,2′-bifuran]-5-yl]tridecyl]-5-methyl-,[2R-[2α[2′R*,5′R*(R*)],5β[2R*(S*),13R*]]]-;(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone;Asimicin;Squamocin H;(+)-Asimicin;159993-36-9
Categories:
Organic Chemistry > Lactones

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(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone Basic Attributes

Molecular Weight：

622.921

Exact Mass：

622.92

Characteristics

PSA：

105

Density：

1.054±0.06 g/cm3(Predicted)

Melting Point：

45-48 °C @ Solvent: Methanol, Water

Boiling Point：

745.5±40.0 °C(Predicted)

Computed Properties

Molecular Weight:622.9
XLogP3:9.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:25
Exact Mass:622.48085444
Monoisotopic Mass:622.48085444
Topological Polar Surface Area:105
Heavy Atom Count:44
Complexity:801
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

SDS

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