CAS No.1039-17-4,17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1039-17-4
Name:	17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one

Formula:	C₂₀H₂₈O₂
Molecular Weight:	300.441
Synonyms:	Androsta-4,9(11)-dien-3-one,17b-hydroxy-17-methyl- (7CI,8CI);17a-Methyl-4,9(11)-androstadien-17b-ol-3-one;17b-Hydroxy-17-methylandrost-4,9(11)-dien-3-one;17b-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one;17b-Hydroxy-17a-methyl-4,9(11)androstadien-3-one;4,9(11)-Androstadien-17a-methyl-17b-ol-3-one;Androsta-4,9(11)-diene-17a-methyl-17b-ol-3-one;NSC 3356;U 5261;D9-11-Methyltestosterone;
EINECS:	213-864-0
Density:	1.13g/cm³
Melting Point:	169 °C
Boiling Point:	448.3 °C at 760 mmHg
Flash Point:	191 °C
Hazard Symbols:	Xi,Xn,F
Risk Codes:	R43; R36; R20/21/22; R11
PSA:	37.30000
LogP:	4.18940

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Specification

The 17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one, with CAS registry number 1039-17-4, belongs to the following product categories: (1)Biochemistry; (2)Hydroxyketosteroids; (3)Steroids. It has the systematic name of (17β)-17-hydroxy-17-methylandrosta-4,9(11)-dien-3-one. What's more, its EINECS is 213-864-0.

Physical properties of 17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 87.47 cm³; (9)Molar Volume: 265.5 cm³; (10)Polarizability: 34.67×10^-24cm³; (11)Surface Tension: 45 dyne/cm; (12)Enthalpy of Vaporization: 81.55 kJ/mol; (13)Vapour Pressure: 6.38E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@](C\1=C\C[C@]3([C@H]([C@@H]/1CC2)CC[C@@]3(O)C)C)(C)CC4
(2)InChI: InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3/t15-,17+,18+,19+,20+/m1/s1
(3)InChIKey: BFMZZSBHQOCQFQ-HTDHLNIYBF
(4)Std. InChI: InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3/t15-,17+,18+,19+,20+/m1/s1
(5)Std. InChIKey: BFMZZSBHQOCQFQ-HTDHLNIYSA-N