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23454-33-3

Basic Information
CAS No.: 23454-33-3
Name: Estra-4,9,11-trien-3-one,17-[[(cyclohexylmethoxy)carbonyl]oxy]-, (17b)-
Molecular Structure:
Molecular Structure of 23454-33-3 (Estra-4,9,11-trien-3-one,17-[[(cyclohexylmethoxy)carbonyl]oxy]-, (17b)-)
Formula: C26H34O4
Molecular Weight: 410.554
Synonyms: Estra-4,9,11-trien-3-one,17b-hydroxy-, cyclohexylmethylcarbonate (8CI);Carbonic acid, cyclohexylmethyl ester, ester with 17b-hydroxyestra-4,9,11-trien-3-one(8CI);Cyclohexanemethanol, hydrogen carbonate, ester with 17b-hydroxyestra-4,9,11-trien-3-one(8CI);RU 2580;Trenbolonehexahydrobenzyl carbonate;
EINECS: 245-669-1
Density: 1.17 g/cm3
Melting Point: 90-95°
Boiling Point: 607.9 °C at 760 mmHg
Flash Point: 261.7 °C
Solubility: N/A
Appearance: Light yellow powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 52.60000
LogP: 6.07050
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Specification

The IUPAC name of Trenbolone cyclohexylmethylcarbonate is cyclohexylmethyl (13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) carbonate. With the CAS registry number 23454-33-3, it is also named as cyclohexylmethyl 17-beta-hydroxyestra-4,9,11-trien-3-one carbonate. The product's categories are steroids; vitamin ingredients. Additionally, it is light yellow powder.

 The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.79; (4)ACD/LogD (pH 7.4): 5.79; (5)ACD/BCF (pH 5.5): 14707.54; (6)ACD/BCF (pH 7.4): 14707.54; (7)ACD/KOC (pH 5.5): 33474.38; (8)ACD/KOC (pH 7.4): 33474.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 114.91 cm3; (14)Molar Volume: 349 cm3; (15)Polarizability: 45.55×10-24 cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Enthalpy of Vaporization: 90.33 kJ/mol; (18)Vapour Pressure: 1.01E-14 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Tautomer Count: 13; (21)Exact Mass: 410.24571; (22)MonoIsotopic Mass: 410.24571; (23)Topological Polar Surface Area: 52.6; (24)Heavy Atom Count: 30.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C/5CCC=4\C(\CC[C@@H]1C=4\C=C/[C@]2(C)[C@H](CC[C@@H]12)OC(=O)OCC3CCCCC3)=C\5
2. InChI:InChI=1/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1