 Home > Encyclopedia > [(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate

[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate

[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate structure

CAS No:
76663-53-1
Formula:
C38H60O8
Chemical Name:
[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate
Synonyms:
RD4-2138;76663-53-1;RD 4-2138;13-Hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate;[2,3-dimethylbutanoyloxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] dodecanoate;CHEMBL4293740;SCHEMBL21892482;DTXSID60997987;4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo(7.5.1.0(1,5).0(10,12))pentadeca-2,7-dien-12-yl dodecanoate;RD-4-2138;4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-12-yl dodecanoate;6-[(2,3-Dimethylbutanoyl)oxy]-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1,1a,2,5,5a,6,9,10-octahydro-10aH-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-10a-yl dodecanoate

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[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate Basic Attributes

Molecular Weight：

644.9 g/mol

Exact Mass：

644.42881887 g/mol

Characteristics

PSA：

130 Å²

Computed Properties

Molecular Weight:644.9
XLogP3:7.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:644.42881887
Monoisotopic Mass:644.42881887
Topological Polar Surface Area:130
Heavy Atom Count:46
Complexity:1220
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate

Basic Attributes
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Computed Properties
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