 Home > Encyclopedia > [(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

[(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

[(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate structure

CAS No:
83920-75-6
Formula:
C44H46O9
Chemical Name:
[(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate
Synonyms:
83920-75-6;DTXSID501004080;Benzeneacetic acid, 3a,4,6a,7,8,9,10,10b-octahydro-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-3-oxobenz(e)azulene-7,8,10a(3H)-triyl ester, (3aR-(3aalpha,6aalpha,7beta,8beta,10beta,10abeta,10bbeta))-;3a-Hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8-(prop-1-en-2-yl)-3a,4,6a,7,8,9,10,10b-octahydrobenzo[e]azulene-7,8,10a(3H)-triyl tris(phenylacetate)

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[(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate Basic Attributes

Molecular Weight：

718.8 g/mol

Exact Mass：

718.31418304 g/mol

Characteristics

PSA：

136 Å²

Computed Properties

Molecular Weight:718.8
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:718.31418304
Monoisotopic Mass:718.31418304
Topological Polar Surface Area:136
Heavy Atom Count:53
Complexity:1460
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-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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