 Home > Encyclopedia > [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

[(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

[(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate structure

CAS No:
57444-61-8
Formula:
C37H42O10
Chemical Name:
[(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate
Synonyms:
Proresiniferatoxin;57444-61-8;[(3ar,6as,7r,8r,10r,10ar,10bs)-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxo-7-[(phenylacetyl)oxy]-8-(prop-1-en-2-yl)-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl]methyl(3-hydroxy-5-methoxyphenyl)acetate;DTXSID10276673;Benzeneacetic acid, 3-hydroxy-5-methoxy-, ((3aR,6aS,7R,8R,10R,10aR,10bS)-3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-8-(1-methylethenyl)-3-oxo-7-((phenylacetyl)oxy)benz(e)azulen-5-yl)methyl ester

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[(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate Basic Attributes

Molecular Weight：

646.7 g/mol

Exact Mass：

646.27779753 g/mol

DSSTox ID：

DTXSID10276673

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:646.7
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:646.27779753
Monoisotopic Mass:646.27779753
Topological Polar Surface Area:160
Heavy Atom Count:47
Complexity:1300
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

Basic Attributes
Characteristics
Computed Properties
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