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

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

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

CAS No:
122551-69-3
Formula:
C22H36O3
Chemical Name:
[(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate
Synonyms:
Manoyl oxide F1; Ent-13-epi-12-acetoxymanoyl oxide; 1H-Naphtho(2,1-b)pyran-2-ol,3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,acetate,(2R-(2alpha,3beta,4abeta,6aalpha,10abeta,10balpha)); (2R-(2alpha,3beta,4abeta,6aalpha,10abeta,10balpha))-3-Ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-2-ol acetate;

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

Molecular Weight：

348.51900

Exact Mass：

348.26644501 g/mol

DSSTox ID：

DTXSID00153641

Characteristics

PSA：

35.53000

XLogP3：

5.28440

Density：

1.02g/cm3

Boiling Point：

391.2ºC

Flash Point：

165ºC

Refractive Index：

1.503

Vapor Pressure：

2.5E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

ent-13-epi-12-acetoxymanoyl oxide

Computed Properties

Molecular Weight:348.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:348.26644501
Monoisotopic Mass:348.26644501
Topological Polar Surface Area:35.5
Heavy Atom Count:25
Complexity:568
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties
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