 Home > Encyclopedia > (1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol

(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol

(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol structure

CAS No:
1045-29-0
Formula:
C22H30O2
Chemical Name:
(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol
Synonyms:
Dicyclopenta[a,f]naphthalene-1,7-diol,1,7-diethynylhexadecahydro-8a,10a-dimethyl-,(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-;A-Nor-5α,17α-pregn-20-yne-2β,17-diol,2-ethynyl-;A-Norpregn-20-yne-2,17-diol,2-ethynyl-,(2β,5α,17α)-;(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol;2α,16α-Bisethynyl-A-nor-5α-androstane-2β,16β-diol;2α,17α-Diethynyl-A-nor-5α-androstan-2β,17β-diol;H 241;AF 45 (pharmaceutical);Anordiol;Dicyclopenta[a,f]naphthalene-1,7-diol,1,7-diethynylhexadecahydro-8a,10a-dimethyl-,[1R-(1α,3aβ,3bα,5aβ,7α,8aα,8bβ,10aα)]-;AF 45;2α,17a-Diethynyl-A-nor-5α-androstane-2β,17β-diol

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(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol Basic Attributes

Molecular Weight：

326.48

Exact Mass：

326.47

UNII：

5G6H10Z92J

Characteristics

PSA：

40.5

XLogP3：

3.6

Density：

1.0626 (rough estimate)

Melting Point：

169-170 °C

Boiling Point：

404.5°C (rough estimate)

Refractive Index：

1.5344 (estimate)

Drug Information

MeSH：

Postcoital contraceptives which owe their effectiveness to hormonal preparations. (See all compounds classified as Contraceptives, Postcoital, Hormonal.)

MeSH Entry Terms：

2,17,diethynyl-2,17-dihydroxy-A-norandrostane

Computed Properties

Molecular Weight:326.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:326.224580195
Monoisotopic Mass:326.224580195
Topological Polar Surface Area:40.5
Heavy Atom Count:24
Complexity:664
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

(1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-1,7-Diethynylhexadecahydro-8a,10a-dimethyldicyclopenta[a,f]naphthalene-1,7-diol

SDS

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