Basic Information | Post buying leads | Suppliers |
Name |
(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one |
EINECS | 617-346-9 |
CAS No. | 82543-15-5 | Density | 1.259 g/cm3 |
PSA | 57.53000 | LogP | 2.70590 |
Solubility | N/A | Melting Point |
199-203 °C (dec.) |
Formula | C20H28O3 | Boiling Point | 467.26 °C at 760 mmHg |
Molecular Weight | 316.441 | Flash Point | 250.507 °C |
Transport Information | N/A | Appearance | white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3b,5-Dihydroxy-15b,16b-methylene-5b-androst-6-en-17-one; |
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