(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-Methylheptan-2-Yl)-2,3,4,9,10,11,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl Acetate (3S,9S,10R,13R,14R,17R)-10,13-二甲基-17-((R)-6-甲基庚-2-基)-2,3,4,9,10,11,12,13,14,15,16,17-十二烷基-1H-环戊[a]菲蒽-3-基乙酸酯

CAS 1059-86-5 MFCD00053452

化学结构图

1059-86-5
SMILES: CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CCC2C(C)CCCC(C)C)C1

化学属性

Mol. FormulaC₂₉H₄₆O₂
Mol. Weight426.67
Melting Point119-121°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-Methylheptan-2-Yl)-2,3,4,9,10,11,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl Acetate
InChIKeyACGNVBRAISEVDK-RPIQFHTISA-N
Wiswesser Line NotationL E5 B666 JU LUTJ A1 E1 FY1&3Y1&1 OOV1
Synonym (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate 7,8-Didehydrocholesterol Acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number1059-86-5
Beilstein Registry Number3224391
Chemical Name Translation(3S,9S,10R,13R,14R,17R)-10,13-二甲基-17-((R)-6-甲基庚-2-基)-2,3,4,9,10,11,12,13,14,15,16,17-十二烷基-1H-环戊[a]菲蒽-3-基乙酸酯
MDL Number-
LabNetwork Molecule IDLN04912165
Canonical SMILES-
PubChem Substance ID99487
InChIInChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3/t20-,23+,25-,26+,27+,28+,29-/m1/s1
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg/90D-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 209,1026,1966

RTECSFZ5680000
Storage condition -20°C, protect from light, stored under nitrogen 2-8°C 4 4°C

系列性分类

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