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Estr-4-en-3-one,17-[(1-oxododecyl)oxy]-, (17b)- (26490-31-3)

Identification
Name:Estr-4-en-3-one,17-[(1-oxododecyl)oxy]-, (17b)-
Synonyms:Estr-4-en-3-one,17b-hydroxy-, laurate (6CI,8CI);Lauric acid, ester with 17b-hydroxyestr-4-en-3-one (8CI);19-Nortestosterone 17b-laurate;19-Nortestosteronelaurate;Clinibolin;Fortadex;Laurabolin;Laurabolin vet;Nandrolone 17b-dodecanoate;Nandrolonedodecanoate;Nandrolone laurate;? Nandrolone dodecanoate;
CAS:26490-31-3
EINECS: 247-739-7
Molecular Formula: C30H48O3
Molecular Weight: 456.71
InChI: InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1
Molecular Structure: (C30H48O3) Estr-4-en-3-one,17b-hydroxy-, laurate (6CI,8CI);Lauric acid, ester with 17b-hydroxyestr-4-en-3-one (...
Properties
Flash Point: 234.3°C
Boiling Point: 559.8°Cat760mmHg
Density:1.03g/cm3
Refractive index:1.521
Specification:

The cas register number of Nandrolone laurate is 26490-31-3. It also can be called as (17b)-17-[(1-Oxododecyl)oxy]-estr-4-en-3-one and the IUPAC Name about this chemical is [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] dodecanoate.

Physical properties about Nandrolone laurate are: (1)ACD/LogP: 9.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.21; (4)ACD/LogD (pH 7.4): 9.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2425538; (8)ACD/KOC (pH 7.4): 2425538; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 43.37Å2; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 134.34 cm3; (14)Molar Volume: 440.5 cm3; (15)Polarizability: 53.25x10-24cm3; (16)Surface Tension: 40.9 dyne/cm; (17)Enthalpy of Vaporization: 84.22 kJ/mol; (18)Boiling Point: 559.8 °C at 760 mmHg; (19)Vapour Pressure: 1.46E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@@H]([C@H]1CC[C@@]3([C@@H](OC(=O)CCCCCCCCCCC)CC[C@H]3[C@@H]1CC2)C)CC4
(2)InChI: InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1
(3)InChIKey: OXXNTXVXBWLYQE-PVHICTMWBV
(4)Std. InChI: InChI=1S/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1
(5)Std. InChIKey: OXXNTXVXBWLYQE-PVHICTMWSA-N

Flash Point: 234.3°C
Safety Data
 

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