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1449-61-2

（7-酮基去氫表雄酮醋酸酯,Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-）
7-酮基去氫表雄酮醋酸酯結構式圖片|1449-61-2結構式圖片
7-酮基去氫表雄酮醋酸酯
Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-
1449-61-2
C21H28O4
344.444626808167
如需查看該化合物的詳細結構式,mol文件,smile,InChi 請點(diǎn)擊：7-酮基去氫表雄酮醋酸酯結構式
7-酮基去氫表雄酮醋酸酯MOL
9798229

名稱(chēng)和標識符

MDLMFCD00198501
InChIKeyVVSMJVQHDZUPIL-XFKPDKBWSA-N
Inchi1S/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15-,16-,19-,20-,21-/m0/s1
SMILESO=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](CC3=CC([C@H]12)=O)OC(C)=O

別名信息

- 中文別名 -

  • 7-酮基去氫表雄酮醋酸酯
  • 7-酮基醋酸去氫表雄酮
  • 7-酮基去氫表雄酮醋酸酯 1KG

- 英文別名 -

  • Androst-5-en-3-ol-7,17-dione acetate
  • 7,17-Dioxoandrost-5-en-3-yl acetate
  • 10,13-Dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
  • [(8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • 3Beta-Acetoxyandrost-5-ene-7,17-dione
  • 7-keto DHEA acetate
  • 7-Keto Naturalean
  • 7-Oxo-dehydroepiandrosterone acetate
  • DEHYDROEPIANDROSTERONE, 3-ACETYL-7-OXO-(P)
  • 3-ACEDYL-7-KETO-DHEA
  • 3-ACETYL-7-KETO-DHEA
  • 3-ACETYL-7-OXO-DHEA
  • 5-Androsten-3--ol-7,17-dioneacetate
  • 7-KETO-DHEA
  • 7-OXO-DHA
  • Androst-5-en-7,17-dione,3b-acetyloxy
  • Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-
  • ANDROST-5-ENE-7,17-DIONE, 3.BETA.-HYDROXY-, ACETATE
  • 84RQ0XOM11
  • FD12038
  • 3.BETA.-ACETOXYANDROST-5-ENE-7,17-DIONE
  • 7-Oxodehydroepiandrosterone 3-acetate
  • Q27269545
  • AKOS027327297
  • 5-Androsten-3-beta-ol-7,17-dione acetate
  • 7-KETO-DEHYDROEPIANDROSTERONE ACETATE
  • Androst-5-ene-7,17-dione, 3beta-hydroxy-, acetate
  • 3beta-acetoxyandrost-5-en-7,17-dione
  • SCHEMBL4326991
  • CS-0028128
  • MFCD00198501
  • 7-Oxodehydroepiandrosterone acetate
  • 7-Oxo-dhea-acetate
  • 1449-61-2
  • PD063419
  • BCP10783
  • CHEMBL4303644
  • J793.891H
  • UNII-84RQ0XOM11
  • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1,4-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
  • [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • AS-67233
  • 7-KETO-DEHYDROEPIANDROSTERONE ACETATE [WHO-DD]
  • ANDROST-5-ENE-7,17-DIONE, 3-(ACETYLOXY)-, (3.BETA.)-
  • 5-Androsten-3beta-ol-7,17-dione acetate
  • VVSMJVQHDZUPIL-XFKPDKBWSA-N
  • (3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-7,17-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
  • NSC-134911
  • BRD-K07785030-001-01-6
  • (3AS,3BR,7S,9AR,9BS,11AS)-9A,11A-DIMETHYL-1,4-DIOXO-2H,3H,3AH,3BH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-YL ACETATE
  • (3ss)-3-(Acetyloxy)-androst-5-ene-7,17-dione
  • 3ss-Acetoxy-5-androsten-7,17-dione

物化性質(zhì)

實(shí)驗特性

LogP3.62900
PSA60.44000
折射率1.548
沸點(diǎn)479.6 oC at 760 mmHg
閃點(diǎn)209.2oC
顏色與性狀Powder
密度1.17

計算特性

精確分子量344.19900
氫鍵供體數量0
氫鍵受體數量4
可旋轉化學(xué)鍵數量2
同位素質(zhì)量344.199
重原子數量25
復雜度677
同位素原子數量0
確定原子立構中心數量6
不確定原子立構中心數量0
確定化學(xué)鍵立構中心數量0
不確定化學(xué)鍵立構中心數量0
共價(jià)鍵單元數量1
疏水參數計算參考值（XlogP）2.6
拓撲分子極性表面積60.4

專(zhuān)業(yè)數據庫參考

PubChemId9798229

化合物詳情（舊版）

SMILES

CC(=O)OC1CC2[C@@](CC1)(C)[C@@H]3[C@@H](C(=O)C=2)[C@H]4[C@@](CC3)(C)C(=O)CC4

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