(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 基本信息
CAS号 2958-05-6 分子式 C24H36O4
分子量 388.54000 精确质量  388.26100
PSA  71.44000 LogP  4.89430

等价的CAS号:

2958-05-6,72690-56-3,106760-05-8

基本信息 展开↓

CAS号:
2958-05-6
3D弹球模型:
立即前往扯扯看
分子式:
C24H36O4
分子量:
388.54000
英文名称:
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
英文别名:
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;
3,12-Dioxo-5beta-cholanoic acid;
3,12-dioxo-7-deoxycholic acid;
EINECS 220-982-6;
Cholic acid,dehydrodeoxy;
Dehydrodeoxycholic acid;
3,12-dioxo-cholanic acid;
3,12-dioxocholanoic acid;
3,12-Diketo-5beta-cholanic acid
精确分子量/精确质量:
388.26100
极性分子表面积/PSA:
71.44000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
220-982-6
InChI:
The Key: XNTYYYINMGRBQW-SXRWQDENSA-N

物化性质展开↓

密度:
1.12g/cm3
沸点:
544.7ºC at 760mmHg
闪点:
297.3ºC
折射率:
1.527
蒸汽压:
2.64E-13mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2256000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3,12-dioxo-
CAS REGISTRY NUMBER :
2958-05-6
BEILSTEIN REFERENCE NO. :
3223360
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H36-O4
MOLECULAR WEIGHT :
388.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
250 ug/disc
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 4,1179,1983

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