Dehydropregnenolone acetate
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Dehydropregnenolone acetate
structure -
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CAS No:
979-02-2
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Formula:
C23H32O3
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Chemical Name:
Dehydropregnenolone acetate
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Synonyms:
Pregna-5,16-dien-20-one,3-(acetyloxy)-,(3β)-;Pregna-5,16-dien-20-one,3β-hydroxy-,acetate;(3β)-3-(Acetyloxy)pregna-5,16-dien-20-one;3β-Acetoxypregna-5,16-dien-20-one;16-Dehydropregnenolone acetate;3β-Acetoxypregna-5,16-diene-20-one;Dehydropregnenolone acetate;16,17-Didehydropregnenolone acetate;20-Oxopregna-5,16-dien-3β-yl acetate;Pregnadienolone acetate;(-)-16-Dehydropregnenolone acetate;16-DPA;NSC 37741;3β-Acetyloxy-pregna-5,16-dien-20-one;16-Dehydropregnenolone-3β-acetate;94042-43-0
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CAS No:
Characteristics
43.37000
5.14
White to almost white crystalline powder
1.1±0.1 g/cm3
174 °C
464.4±45.0 °C at 760 mmHg
200.1±28.8 °C
1.547
Safety Information
NONH for all modes of transport
2
R36/37/38
26-37/39
TU4156200
Xi
P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P314, P391, P405, P501
H360
|Danger|H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P314, P391, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Dehydropregnenolone acetate Use and Manufacturing
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.
Computed Properties
Molecular Weight:356.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:356.23514488
Monoisotopic Mass:356.23514488
Topological Polar Surface Area:43.4
Heavy Atom Count:26
Complexity:702
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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