HCID14709

3beta-Acetoxyandrost-5-en-17-one

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

C21H30O3330.5 g/molCAS 853-23-6

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IDENTITY

结构与身份

标准SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
InChIKey: NCMZQTLCXHGLOK-ZKHIMWLXSA-N
分子式: C21H30O3
平均分子量: 330.5 g/mol
单同位素质量: 330.21949481

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 24
形式电荷: 0
复杂度: 606

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H351 (79.2%): Suspected of causing cancer [Warning Carcinogenicity]；H360 (16.7%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H361 (79.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27602

Hazard Classes and Categories

Acute Tox. 4 (75%)；Acute Tox. 4 (75%)；Acute Tox. 4 (75%)；Carc. 2 (79.2%)；Repr. 1B (16.7%)；Repr. 2 (79.2%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27602

ALIASES

名称与别名

共 85 条

Dehydroepiandrosterone acetate853-23-63beta-acetoxyandrost-5-en-17-one45751H45MYRefChem:505556Prasterone acetateDehydroisoandrosterone 3-acetateDehydroisoandrosterone acetateDhea acetateDehydroepiandrosterone 3-acetatetrans-Dehydroandrosterone acetateAndrost-5-en-17-one, 3-(acetyloxy)-, (3b)-3beta-Acetoxy-5-androstene-17-one[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate17-Oxoandrost-5-en-3beta-yl acetateDehydroisoandosterone 3-acetateDTXSID3020380Androstenolone acetate(3beta)-17-oxoandrost-5-en-3-yl acetate(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

REACTIONS

参与反应

16 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728688

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05837700

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uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05824671

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uspto-grants-1998_08 · 10.6084/m9.figshare.5104873.v1 · US05798347

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uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09340571B2

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uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09340571B2

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uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05922700

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uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05948434

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