CAS No.7443-72-3,13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7443-72-3
Name:	13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol
Article Data:	11

Formula:	C₂₀H₂₆O₂
Molecular Weight:	298.425
Synonyms:	13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol;(13s,14s,17s)-13-ethyl-3-methoxy-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol;17SS-HYDROXY-3-METHOXY-ESTRA-1,3,5(10),8(9)-TETRAEN-18-METHYL-17-OL;13-Ethyl-3-methoxygona-1,3,5(10),8-tetren-17β-ol
EINECS:	231-188-4
Density:	1.14 g/cm³
Melting Point:	102-105 °C(Solv: acetonitrile (75-05-8))
Boiling Point:	450.3 °C at 760 mmHg
Flash Point:	199.7 °C
PSA:	29.46000
LogP:	4.35610

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Specification

The 13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol, its CAS registry number is 7443-72-3. Its EINECS registry number is 231-188-4. This chemical's molecular formula is C₂₀H₂₆O₂ and molecular weight is 298.42. What's more, its systematic name is (13S,14S,17S)-13-Ethyl-3-methoxy-7,11,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

Physical properties about the 13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol are: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.98; (4)ACD/LogD (pH 7.4): 4.98; (5)ACD/BCF (pH 5.5): 3618.3; (6)ACD/BCF (pH 7.4): 3618.3; (7)ACD/KOC (pH 5.5): 12267.95; (8)ACD/KOC (pH 7.4): 12267.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 88.13 cm³; (15)Molar Volume: 260.2 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 199.7 °C; (19)Enthalpy of Vaporization: 74.73 kJ/mol; (20)Boiling Point: 450.3 °C at 760 mmHg; (21)Vapour Pressure: 6.77E-09 mmHg at 25 °C.

Preparation: this chemical is prepared by13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-one. The reaction needs reagent LiAlH₄ and solvent Diethyl ether. The reaction time is 5 min. The yield is about 98 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 13-Ethyl-3-methoxygona-2,5(10)-dien-17b-ol at -45 °C . This reaction needs reagents NH₃ and Li. Meanwhile, it needs solvents Propan-2-ol and Tetrahydrofuran. The yield is about 75 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O(c4cc3c(/C1=C(/[C@@H]2CC[C@H](O)[C@]2(CC1)CC)CC3)cc4)C
(2) InChI:InChI=1/C20H26O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,18-19,21H,3-4,6,8-11H2,1-2H3/t18-,19-,20-/m0/s1
(3) InChIKey:VOVSXUVLXBTVLM-UFYCRDLUBE