Urs-20-en-3-ol, (3β,18α,19α)- supplier

Name
psi-taraxasterol
EINECS
CAS No. 464-98-2
Article Data1
CAS DataBase
Density 0.969 g/cm³
Solubility
Melting Point
Formula C₃₀H₅₀O
Boiling Point 487.8 °C at 760 mmHg
Molecular Weight 426.726
Flash Point 216.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 18a,19bH-Urs-20-en-3b-ol (7CI,8CI);Pseudotaraxasterol (6CI);20-Taraxasten-3beta-ol;y-Taraxasterol;psi-Taroxosterol;
PSA 20.23000
LogP 8.02480

Urs-20-en-3-ol, (3β,18α,19α)- Specification

The Urs-20-en-3-ol, (3β,18α,19α)-, with the CAS registry number 464-98-2, is also known as Pseudotaraxasterol. This chemical's molecular formula is C₃₀H₅₀O and molecular weight is 426.72. What's more, its IUPAC name is (3S,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol.

Physical properties of Urs-20-en-3-ol, (3β,18α,19α)- are: (1)ACD/LogP: 11.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.07; (4)ACD/LogD (pH 7.4): 11.07; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 132.03 cm³; (15)Molar Volume: 440 cm³; (16)Polarizability: 52.34×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.969 g/cm³; (19)Flash Point: 216.9 °C; (20)Enthalpy of Vaporization: 86.85 kJ/mol; (21)Boiling Point: 487.8 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C
(2)Isomeric SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)O)C
(3)InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21-,22?,23-,24+,25-,27-,28+,29-,30-/m1/s1
(4)InChIKey: NGFFRJBGMSPDMS-MHFMPXFTSA-N

Product Name

psi-taraxasterol

Urs-20-en-3-ol, (3β,18α,19α)- Specification

Related Products

Hot Products