Basic information
- Name:
Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)-
- Superlist Name:
- Nandrolone cypionate
- CAS No.:
601-63-8
- Molecular Structure:
- Formula:
- C26H38O3
- Molecular Weight:
- 398.58
- Synonyms:
- Estr-4-en-3-one,17b-hydroxy-, cyclopentanepropionate(6CI,8CI);Cyclopentanepropionic acid, ester with 17b-hydroxyestr-4-en-3-one (8CI);17b-Hydroxyestr-4-en-3-onecyclopentanepropionate;NSC 40578;Nandrolone cypionate;Nortestosteronecyclopentanepropionate;Nortestosterone cypionate;
- EINECS:
- 210-006-7
- Density:
- 1.11 g/cm3
- Boiling Point:
- 525 °C at 760 mmHg
- Flash Point:
- 224.8 °C
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Specification
The Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)-, with CAS registry number 601-63-8, has the systematic name of (17β)-3-oxoestr-4-en-17-yl 3-cyclopentylpropanoate. And its classification codes Hormone and Reproductive Effect. What's more, its EINECS is 210-006-7.
Physical properties of Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)-: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 113.75 cm3; (9)Molar Volume: 357.8 cm3; (10)Polarizability: 45.09×10-24cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Enthalpy of Vaporization: 79.9 kJ/mol; (13)Vapour Pressure: 4.09E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C5\C=C3/[C@@H]([C@H]2CC[C@@]4([C@@H](OC(=O)CCC1CCCC1)CC[C@H]4[C@@H]2CC3)C)CC5
(2)InChI: InChI=1/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
(3)InChIKey: REWKEGSQGOSEES-FNKXXKKYBB
(4)Std. InChI: InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
(5)Std. InChIKey: REWKEGSQGOSEES-FNKXXKKYSA-N