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ChemicalBook--->CAS DataBase List--->979-02-2

979-02-2

979-02-2 Structure

979-02-2 Structure
IdentificationMore
[Name]

16-Dehydropregnenolone acetate
[CAS]

979-02-2
[Synonyms]

16-DEHYDRO PREGNENLONE ACETATE
16-DEHYDROPREGNENOLONE ACETATE
16-DPA
(17-ACETYL-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL) ACETATE
3b-Acetoxy-5,16-pregnadien-20-one
3BETA-ACETOXY-5,16-PREGNADIEN-20-ONE
3BETA-HYDROXY-5,16-PREGNADIEN-20-ONE ACETATE
3b-hydroxy-5,16-pregnadien-20-one acetate
5,16-PREGNADIEN-3B-ACETOXY-20-ONE
5,16-PREGNADIEN-3BETA-OL-20-ONE ACETATE
5,16-Pregnadien-3b-ol-20-one acetate
ACETIC ACID (3S,8R,9S,10R,13S,14S)-17-ACETYL-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ESTER
DPA
(3-beta)-3-(acetyloxy)pregna-5,16-dien-20-one
16-dien-20-one,3-beta-hydroxy-pregna-acetate
3-(acetyloxy)-16-dien-20-on(3-beta)-pregna-
3-Acetyloxypregna-5,16-dien-20-one
3-Hydroxypregna-5,16-dien-20-one3-acetate
5,16-pregnadiene-3-beta-ol-20-oneacetate
dehydropregnenoloneacetate
[EINECS(EC#)]

213-558-7
[Molecular Formula]

C23H32O3
[MDL Number]

MFCD00051130
[Molecular Weight]

356.5
[MOL File]

979-02-2.mol
Chemical PropertiesBack Directory
[Melting point ]

170-178°C
[Boiling point ]

464.4±45.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[InChI]

InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/s3
[InChIKey]

MZWRIOUCMXPLKV-RFOVXIPZSA-N
[SMILES]

[C@]12(C)CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)C)CC4=CC[C@@]3([H])[C@]1([H])CC=C2C(=O)C |&1:0,4,6,10,19,21,r|
[CAS DataBase Reference]

979-02-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

TU4156200
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Acetic acid-->Acetic anhydride-->Cyclohexane-->Saponin-->Diosgenin
[Preparation Products]

METHYL 3-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-(1-CYCLOPROPANE)CARBOXYLATE-->ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate-->Progesterone-->Cortisone acetate-->optical plastics based on coplymer of diene macromolecule-->(2S,5R,6S)-6-[(3-Hydroxy-3-oxo-2-thiophen-3-ylpropanoyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid-->17-Methyltestosterone-->CORTISONE-->17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate-->3-Pentadecylphenol-->16-Methylepihydrocortisone-->dimethylacrolyl phenoxy propanestyrene copolymer optical plastics-->16beta-Methyl-16alpha,17alpha-epoxypregnenolone-->Di-(2-Ethylhexyl)4,5-Epoxytetrahydrophthalate-->1,4-HEXADIENE-->17,21-dihydroxy-16alpha-methylpregna-4,9(11)-diene-3,20-dione 21-acetate-->16-methyl-20-oxopregna-5,16-dien-3-beta-yl acetate-->3beta,17-dihydroxy-16alpha-methylpregn-5-en-20-one-->5-Chloro-3,6-dihydroxy-5-androstan-17-one 3-acetate-->3-Acetyloxy-17-hydroxy-16-methylpregn-5-en-20-one-->17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate-->21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione-->16-DEHYDROPREGNENOLONE ACETATE OXIME-->Pregnenolone acetate
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

16-Dehydropregnenolone Acetate is the dehydration product of Pregnenolone Acetate (). 16-Dehydropregnenolone Acetate is used in the preparation of pregnane derivatives and its glycosides as potential anticancer agents.
[Definition]

ChEBI: 16-Dehydropregnenolone acetate is a steroid ester.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

979-02-2(sigmaaldrich)
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