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[(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Name

[(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

EINECS N/A
CAS No. 55570-91-7 Density 0.99 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C32H52O2 Boiling Point 512.5 °C at 760 mmHg
Molecular Weight 468.75 Flash Point 260.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55570-91-7 ((3beta,5xi)-lanosta-9(11),24-dien-3-yl acetate) Hazard Symbols N/A
Synonyms

(3β,5ξ)-Lanosta-9(11),24-dien-3-yl acetate;

 

[(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Specification

The [(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate has the CAS registry number 55570-91-7. This chemical's molecular formula is C32H52O2 and molecular weight is 468.75. What's more, its systematic name is (3β,5ξ)-Lanosta-9(11),24-dien-3-yl acetate. 

Physical properties of [(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate are: (1)ACD/LogP: 11.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.94; (4)ACD/LogD (pH 7.4): 11.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 143.18 cm3; (15)Molar Volume: 470.3 cm3; (16)Polarizability: 56.76×10-24 cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 260.9 °C; (20)Enthalpy of Vaporization: 78.38 kJ/mol; (21)Boiling Point: 512.5 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]4CC[C@@]3(C/2=C/C[C@@]1([C@H](CC[C@]1([C@@H]\2CCC3C4(C)C)C)[C@H](C)CC\C=C(/C)C)C)C)C
(2)InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,16,22,24,26-28H,10,12-15,17-20H2,1-9H3/t22-,24-,26-,27?,28+,30-,31-,32+/m1/s1
(3)InChIKey: LUYVRICDGSTYQC-LWOMKWGHSA-N

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