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(5R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-17-ethynyl-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol | CAS No. 91934-95-1

(5R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-17-ethynyl-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol

Basic Information

Chemical_Structure_Of

CAS Number

91934-95-1

Molecular Formula

C30H39NO4

Molecular Weight

477.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.25±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.7E-3 g/L) (25 ºC),

SMILES

C[C@]12C[C@@H](C3=C4CCC5(C[C@]4(CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O)OCCO5)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C30H39NO4/c1-5-29(33)14-11-24-22-10-13-28(32)19-30(34-16-17-35-30)15-12-25(28)26(22)23(18-27(24,29)2)20-6-8-21(9-7-20)31(3)4/h1,6-9,22-24,32-33H,10-19H2,2-4H3/t22-,23+,24-,27-,28+,29-/m0/s1

InChIKey

GMTUOJRBNRXCCQ-HTWSSZDYSA-N

Complexity

935

Synonyms & References

English

(5alpha,11beta,17alpha)-11-[4-(Dimethylamino)phenyl]-5,17-dihydroxy-19-norpregn-9-en-20-yn-3-one cyclic 1,2-ethanediyl acetal
(5α,11β,17α)-11-[4-(diMethylaMino)phenyl]-5,17-dihydroxy-19-norpregn-9-en-20-yn-3-one Cyclic 1,2-Ethanediyl Acetal
19-Norpregn-9-en-20-yn-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-, cyclic 1,2-ethanediyl acetal, (5α,11β,17α)-
(5α,11β,17a)-11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-19-norpregn-9-en-20-yn-3-one Cyclic 1,2-Eth
Ensitrelvir Impurity 16
(5α,11β,17α)-11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-19-norpregn-9-en-20-yn-3-one Cyclic 1,2-Ethanediyl Acetal
(5α,11β,17α)-11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-19-norpregn-9-en-20-yn-3-one Cyclic 1,2-Eth
(5
A,11
A,17
CID 131698775

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Hangzhou Qichuang Chemical Industry Co., Ltd.

CAS Number: 91934-95-1