beta-Sitosterol

(24R)-Stigmast-5-en-3b-ol (3)-BETA-SITOSTEROL(2) (3b)-Stigmast-5-en-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-éthyl-6-méthyl-2-heptanyl]-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methyl-2-heptanyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3Β)-Stigmast-5-en-3-ol (3Β,20R,24R)-Stigmast-5-en-3-ol 22,23-DIHYDROSTIGMASTEROL 22,23-DIHYDROSTIMASTEROL 22:23-Dihydrostigmasterol 24-ALPHA-ETHYLCHOLESTEROL 24BETA-ETHYLCHOLESTEROL 24b-Ethyl-D5-cholesten-3b-ol 5-CHOLESTEN-24-BETA-ETHYL-3-BETA-OL 5-STIGMASTEN-3BETA-OL a-Dihydrofucosterol a-Phytosterol b-Sitosterin B-SITOSTEROL D5-Stigmasten-3b-ol EINECS 201-480-6 L E5 B666 LUTJ A1 E1 FY1&2Y2&Y1&1 OQ &&Stereoisomer MFCD00003631 Prostasal Sitosterin Sitosterol Sitosterol Β Stigmast-5-en-3b-ol Stigmast-5-en-3-ol, (3Β)- Stigmast-5-en-3-ol, (3Β,20R,24R)- α-Dihydrofucosterol α-Phytosterol Β-Sitosterol Δ5-Stigmasten-3b-ol

The Beta-sitosterol, with the?CAS registry number 83-46-5, is a kind of white powder with no odour. This chemical is insoluble in water while soluble in chloroform and carbon disulfide, with the product categories including Miscellaneous Natural Products; Biochemistry; Hydroxysteroids; Steroids; Natural Plant Extract. As to its usage, it is widely applied in many ways. It could be used as the Lipid-lowering drugs, and it could also be used as the acridine and health food.

The physical properties of this chemical are as below: (1)ACD/LogP: 10.73; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 9.23; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 129.21 cm³; (9)Molar Volume: 424.3 cm³; (10)Polarizability: 51.22 ×10^-24 cm³; (11)Surface Tension: 37.6 dyne/cm; (12)Density: 0.97 g/cm³; (13)Flash Point: 220.4 °C; (14)Enthalpy of Vaporization: 88.77 kJ/mol; (15)Boiling Point: 501.9 °C at 760 mmHg; (16)Vapour Pressure: 3.53E-12 mmHg at 25°C; (17)Exact Mass: 414.386166; (18)MonoIsotopic Mass: 414.386166; (19)Topological Polar Surface Area: 20.2; (20)Heavy Atom Count: 30; (21)Complexity: 634.

When you deal with this chemical, you should be careful. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful? which may cause damage to health, and it may have danger of serious damage to health by prolonged exposure through inhalation and if swallowed. Besides, it has the limited evidence of a carcinogenic effect. Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, then avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, remember not to breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
(2)Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
(3)InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
(4)InChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-N?

CHEMICAL IDENTIFICATION

RTECS NUMBER :

WJ2600000

CHEMICAL NAME :

Stigmast-5-en-3-beta-ol

CAS REGISTRY NUMBER :

83-46-5

LAST UPDATED :

199706

DATA ITEMS CITED :

1

MOLECULAR FORMULA :

C29-H50-O

MOLECULAR WEIGHT :

414.79

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

30 mg/kg

SEX/DURATION :

female 1 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 46,461,1976