CAS No.82543-15-5,(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82543-15-5
Name:	(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one

Formula:	C₂₀H₂₈O₃
Molecular Weight:	316.441
Synonyms:	3b,5-Dihydroxy-15b,16b-methylene-5b-androst-6-en-17-one;
EINECS:	617-346-9
Density:	1.259 g/cm³
Melting Point:	199-203 °C (dec.)
Boiling Point:	467.26 °C at 760 mmHg
Flash Point:	250.507 °C
Appearance:	white solid
PSA:	57.53000
LogP:	2.70590

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Specification

The CAS register number of (3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one is 82543-15-5. It also can be called as 3'H-Cycloprop[15,16]androsta-6,15-dien-17-one,15,16-dihydro-3,5-dihydroxy-, (3b,5b,15a,16a)-. The Molecular Formula about this chemical is C₂₀H₂₈O₃.

Physical properties about (3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 1.93; (3)ACD/LogD (pH 7.4): 1.93; (4)ACD/BCF (pH 5.5): 17.239; (5)ACD/BCF (pH 7.4): 17.239; (6)ACD/KOC (pH 5.5): 267.12; (7)ACD/KOC (pH 7.4): 267.12; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 57.53Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 87.255 cm³; (14)Molar Volume: 251.417 cm³; (15)Polarizability: 34.59x0^-24cm³; (16)Surface Tension: 55.807 dyne/cm; (17)Enthalpy of Vaporization: 84.08 kJ/mol; (18)Boiling Point: 467.26 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CC[C@]3([C@H]([C@@H]1C=C[C@]4([C@@H]2CC[C@@H](C4)O)O)[C@@H]5C[C@@H]5C3=O)C
(2)InChI: InChI=1/C20H28O3/c1-18-7-8-19(2)16(12-9-13(12)17(19)22)14(18)5-6-20(23)10-11(21)3-4-15(18)20/h5-6,11-16,21,23H,3-4,7-10H2,1-2H3/t11-,12+,13-,14-,15+,16-,18-,19-,20-/m0/s1
(3)InChIKey: GUQPDCKLQAUUSF-HHDLOUJIBX
(4)Std. InChI: InChI=1S/C20H28O3/c1-18-7-8-19(2)16(12-9-13(12)17(19)22)14(18)5-6-20(23)10-11(21)3-4-15(18)20/h5-6,11-16,21,23H,3-4,7-10H2,1-2H3/t11-,12+,13-,14-,15+,16-,18-,19-,20-/m0/s1
(5)Std. InChIKey: GUQPDCKLQAUUSF-HHDLOUJISA-N