 Home > Encyclopedia > (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol

(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol

(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol structure

CAS No:
183957-04-2
Formula:
C20H34O3
Chemical Name:
(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
Synonyms:
Excoecarin C;183957-04-2;DTXSID70939777;3,4a,7,7,10a-Pentamethyl-3-(oxiran-2-yl)dodecahydro-1H-naphtho[2,1-b]pyran-8-ol

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(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol Basic Attributes

Molecular Weight：

322.5 g/mol

Exact Mass：

322.25079494 g/mol

Characteristics

PSA：

42 Å²

XLogP3：

3.9264

Melting Point：

183 - 185 °C (methanol)

Computed Properties

Molecular Weight:322.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:322.25079494
Monoisotopic Mass:322.25079494
Topological Polar Surface Area:42
Heavy Atom Count:23
Complexity:503
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol

Basic Attributes
Characteristics
Computed Properties

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