(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal

(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal 基本信息
CAS号 62410-84-8 分子式 C20H32O4
分子量 336.46600 精确质量  336.23000
PSA  66.76000 LogP  3.52280

基本信息 展开↓

CAS号:
62410-84-8
3D弹球模型:
立即前往扯扯看
分子式:
C20H32O4
分子量:
336.46600
英文名称:
(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal
英文别名:
(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal;
9ALPHA, 11ALPHA, 15S-TRIHYDROXY-PROSTA-5Z, 13E-DIEN-1-OIC ACID, 1,11-LACTONE;
PROSTAGLANDIN F2ALPHA 1,11-LACTONE;
9,11,15-trihydroxy-,iota-lactone,(5z,9-alpha,11-prosta-13-dien-1-oicacid;
pgf2-alpha1,11-lactone;
Brn 5596377;
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, iota-lactone, (5Z,9-alpha,11-alpha,13E,15S)-;
Prostaglandin F2α 1,11-lactone
精确分子量/精确质量:
336.23000
极性分子表面积/PSA:
66.76000
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。
InChI:
The Key: KBFCVOAVUKWCPS-YNNPMVKQSA-N

物化性质展开↓

密度:
1.108 g/cm3
沸点:
498.6ºC at 760 mmHg
闪点:
269.4ºC
折射率:
1.568

合成路线查看所有的合成路线

  • 62410-87-1

    (1R,10R,11S,13R,Z)-11-((triphenylsilyl)oxy)-13-((S,E)-3-((triphenylsilyl)oxy)oct-1-en-1-yl)-2-oxabicyclo[8.2.1]tridec-7-en-3-one

  • ~73%

  • 62410-84-8

    (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal

  • 62410-86-0

    PGF2α 9,15-bis(triphenylsilyl ether)

  • 62410-84-8

    (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal

  • 62410-85-9

    PGD2 9,15-bis(triphenylsilyl ether)

  • 62410-84-8

    (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UK8020500
CHEMICAL NAME :
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, iota-lactone, (5Z,9-alpha,11-alpha, 13E,15S)-
CAS REGISTRY NUMBER :
62410-84-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H32-O4
MOLECULAR WEIGHT :
336.52

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
400 ug/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1089,1983

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  • 62410-87-1

    (1R,10R,11S,13R,Z)-11-((triphenylsilyl)oxy)-13-((S,E)-3-((triphenylsilyl)oxy)oct-1-en-1-yl)-2-oxabicyclo[8.2.1]tridec-7-en-3-one

  • 41598-07-6

    前列腺素 D2

  • 62410-85-9

    PGD2 9,15-bis(triphenylsilyl ether)

  • 62410-86-0

    PGF2α 9,15-bis(triphenylsilyl ether)

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