 Home > Encyclopedia > [(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate structure

CAS No:
54870-24-5
Formula:
C41H66O8
Chemical Name:
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Synonyms:
4-O-methyl-phorbol-12,13-didecanoate;4-O-MePdd;54870-24-5;4-O-Methyl-phorbol-12,13-didecanoate;DTXSID60970210;5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-7b-alpha,9-beta,9a-alpha-trihydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-4a-methoxy-, 9,9a-didecanoate;Decanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-;7b-Hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate

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[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate Basic Attributes

Molecular Weight：

687.0 g/mol

Exact Mass：

686.47576906 g/mol

Characteristics

PSA：

119 Å²

Drug Information

MeSH Entry Terms：

4-O-methyl-phorbol-12,13-didecanoate

Computed Properties

Molecular Weight:687.0
XLogP3:9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:22
Exact Mass:686.47576906
Monoisotopic Mass:686.47576906
Topological Polar Surface Area:119
Heavy Atom Count:49
Complexity:1240
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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