CAS No.82543-16-6,3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82543-16-6
Name:	3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
Article Data:	4

Formula:	C₂₁H₃₀O₃
Molecular Weight:	330.467
Synonyms:	17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one,octadecahydro-3,5-dihydroxy-10,13-dimethyl-, [3S-(3a,5a,6b,7b,8a,9b,10a,13a,14b,15b,16b)]-;
EINECS:	617-347-4
Density:	1.286 g/cm³
Melting Point:	205-207 °C
Boiling Point:	478.278 °C at 760 mmHg
Flash Point:	257.163 °C
Appearance:	white solid
PSA:	57.53000
LogP:	2.78580

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Specification

The 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one is an organic compound with the formula C₂₁H₃₀O₃. The CAS registry number of this chemical is 82543-16-6. It is also named as 17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one,octadecahydro-3,5-dihydroxy-10,13-dimethyl-, [3S-(3a,5a,6b,7b,8a,9b,10a,13a,14b,15b,16b)]-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. In addition, this chemical is white solid which is used as intermediate of Drospirenone.

The other characteristics of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.401; (4)ACD/LogD (pH 7.4): 2.401; (5)ACD/BCF (pH 5.5): 39.352; (6)ACD/BCF (pH 7.4): 39.352; (7)ACD/KOC (pH 5.5): 482.269; (8)ACD/KOC (pH 7.4): 482.269; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 90.315 cm³; (15)Molar Volume: 256.882 cm³; (16)Polarizability: 35.804×10^-24 cm³; (17)Surface Tension: 57.079 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 257.163 °C; (20)Enthalpy of Vaporization: 85.561 kJ/mol; (21)Boiling Point: 478.278 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:C[C@]12CC[C@@H](C[C@]1(C3CC3[C@@H]4C2CC[C@]5(C4[C@@H]6C[C@@H]6C5=O)C)O)O
2. InChI:InChI=1/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13?,14?,15?,16+,17?,19-,20+,21+/m0/s1
3. InChIKey:GWUFXQIQXPASJU-SPLOZENWBP