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(Z)-Guggulsterone

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Name

(Z)-Guggulsterone

EINECS N/A
CAS No. 39025-23-5 Density 1.1 g/cm3
PSA 34.14000 LogP 4.64360
Solubility N/A Melting Point 188-190°
Formula C21H28O2 Boiling Point 463.3 °C at 760 mmHg
Molecular Weight 312.452 Flash Point 172.3 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 37
Molecular Structure Molecular Structure of 39025-23-5 ((Z)-Guggulsterone) Hazard Symbols IrritantXi
Synonyms

(17Z)-Guggulsterone;4,17(20)-cis-Pregnadiene-3,6-dione;Z-Guggulsterone;cis-Guggulsterone;

Article Data 2

(Z)-Guggulsterone Specification

The CAS register number of (Z)-Guggulsterone is 39025-23-5. It also can be called as (17Z)-Pregna-4,17(20)-diene-3,16-dione and the systematic name about this chemical is (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione. The molecular formula about this chemical is C21H28O2 and the molecular weight is 312.45. This chemical is irritating to respiratory system. When you are using it, wear suitable protective clothing.

Physical properties about (Z)-Guggulsterone are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 347.45; (5)ACD/BCF (pH 7.4): 347.45; (6)ACD/KOC (pH 5.5): 2292.84; (7)ACD/KOC (pH 7.4): 2292.84; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14Å2; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 90.65 cm3; (12)Molar Volume: 281.5 cm3; (13)Polarizability: 35.94x10-24cm3; (14)Surface Tension: 42.2 dyne/cm; (15)Enthalpy of Vaporization: 72.45 kJ/mol; (16)Boiling Point: 463.3 °C at 760 mmHg; (17)Vapour Pressure: 9.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/[C@@](C)([C@H]2CC[C@@]1(C(/C(=O)C[C@H]1[C@@H]2CC3)=C/C)C)CC4
(2)InChI: InChI=1/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
(3)InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVBE
(4)Std. InChI: InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
(5)Std. InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N

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