CAS 302-23-8|(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate|(1S,2R,10R,11S,14R,15S)-14-acetyl-2,1...

基本信息

化学结构

分子式

C₂₃H₃₂O₄

分子量

372.49778

精确质量

372.2300595

电荷

InChI

InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1

InChIKey

VTHUYJIXSMGYOQ-KOORYGTMSA-N

Canonic Smiles

O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C

Isomeric Smiles

[C@]12([C@@](CC[C@H]1[C@H]1[C@@H]([C@@]3(C(=CC(=O)CC3)CC1)C)CC2)(OC(=O)C)C(=O)C)C

计算属性

JChem

Acid pKa

17.806417

质子受体

质子供体

LogD (pH = 5.5)

3.8423047

LogD (pH = 7.4)

3.8423047

Log P

3.8423047

摩尔折射率

103.2568

极化性

40.84742

极化表面积

60.44

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetateHydroxyprogesterone Acetate17-Hydroxypregn-4-ene-3,20-dione Acetate17-(Acetyloxy)progesteroneU 553317-Acetoxy-progesterone17α-Acetoxypregn-4-ene-3,20-dioneProgesterone AcetateNSC 1219117-Acetoxypregn-4-ene-3,20-dione17-(Acetyloxy)pregn-4-ene-3,20-dione17-Hydroxyprogesterone Acetate17α-Acetoxy-4-pregnene-3,20-dione4-Pregnen-17α-ol-3,20-dione acetate17α-Acetoxyprogesterone17α-Hydroxyprogesterone 17-acetate17α-Hydroxy-4-pregnene-3,20-dione 17-acetate

IUPAC传统名

(1S,2R,10R,11S,14R,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl acetate

IUPAC标准名

(1S,2R,10R,11S,14R,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl acetate

名称和标识

数据登录号

EC号

206-119-6

CAS号

302-23-8

PubChem SID

24890745162103182