CAS 979-02-2 MFCD00051130-16-Dehydropregnenolone Acetate 醋酸妊娠双烯醇酮酯 TAO{mole}

16-Dehydropregnenolone Acetate 醋酸妊娠双烯醇酮酯

CAS 979-02-2 MFCD00051130

化学结构图

SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1

化学属性

Mol. Formula	C23H32O3
Mol. Weight	356.50
Melting Point	166-169
Appearance	白色或类白色结晶性粉末。熔点205-220℃。白色结晶性粉末，无异嗅、无气味，在空气中稳定，易溶于乙醇、甲醇，不溶于水。
Density
Boiling Point

别名和识别编码

Chemical Name	16-Dehydropregnenolone Acetate
CAS Number	979-02-2
Synonym	######## (3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one 1-((3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-ETHANONE 16-DEHYDROPREGNENOLONE 16-DEHYDROPREGNENOLONE ACETATE 16-Dehydropregnenolone acetate 16-Dehydropregnenolone acetate (Abiraterone Impurity) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number	213-558-7
MDL Number	MFCD00051130
PubChem Substance ID	92855
Chemical Name Translation	醋酸妊娠双烯醇酮酯
Reaxys-RN	4712779
InChIKey	MZWRIOUCMXPLKV-RFOVXIPZSA-N
Beilstein Registry Number	1026798
LabNetwork Molecule ID	LN00830464
InChI	InChI=1S/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+/m0/s1
Canonical SMILES	CC(C1=CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O

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产品应用

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

安全信息

WGK Germany2

RTECSTU4156200

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Signal word

Precautionary statements

P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

GHS Symbol

UN Number

Hazard Codes

Safety Statements

Risk Statements

Packing Group

其他信息

用途一:用作甾体激素药物中间体，可制造皮质激素、蛋白固化激素类、雄性激素类、黄体激素类的药物
MOL 文件:1162-53-4.mol
Sigma Aldrich:979-02-2(sigmaaldrich)
方法一:可用薯蓣皂素经开环、乙酰化、氧化、水解、消除数步反应制得。
用途二:可的松醋酸酯、氢化可的松、己酸孕酮的中间体。
下游产品:醋酸可的松 --> 孕烯醇酮
下游产品:3-(2,2-二氯乙烯基)-2,2-二甲基环丙基羧酸甲基酯 --> 二氯菊酸乙酯 --> 孕酮 --> 醋酸可的松 --> 双烯大分子单体共聚物光学塑料 --> 替莫西林 --> 甲睾酮 --> 可的松 --> 6-亚甲基孕甾-4-烯-17Α-醇-3,20-二酮-17-醋酸酯 --> 3-十五烷基苯酚 --> 11Α,17Α,21-三羟基-16Α-甲基孕甾-4-烯-3,20-二酮 --> 双甲基丙烯酰氧苯基丙烷与苯乙烯共聚物光学塑料 --> 16α,17α-环氧-3β-羟基-16β-甲基孕甾-5-烯-20-酮 --> 1-烯丙基丙烯 --> 16Α-甲基孕甾-4,9(11)-二烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 3Β-乙酰氧基-5Α-氯雄甾(烷)-6Β-醇-17-酮 --> 16Α-甲基孕甾-5-烯-3Β,17Α-二醇-20-酮-3-醋酸酯 --> 16Α-甲基孕甾-1,4,9(11)-三烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 16Α-甲基孕甾-4-烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 3β-羟基-20-羟亚氨基孕甾-5,16-二烯-20-酮-3-醋酸酯 --> 孕烯诺龙乙酸酯
上游原料:乙醇 --> 乙酸 --> 乙酐 --> 环己烷 --> 皂素 --> 薯蓣皂素
MOL 文件:979-02-2.mol