(3β,25R)-6-Methylspirost-5-en-3-yl acetate supplier

Name
6-METHYLDIOSGENIN ACETATE
EINECS 229-983-6
CAS No. 6877-73-2
Article Data3
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₃₀H₄₆O₄
Boiling Point 540.9 °C at 760 mmHg
Molecular Weight 470.693
Flash Point 227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 25D-Spirost-5-en-3b-ol, 6-methyl-, acetate(6CI,7CI);Spirost-5-en-3-ol,6-methyl-, acetate, (3β,25R)- (9CI);(25R)-6-Methylspirost-5-en-3β-ol acetate;
PSA 44.76000
LogP 6.67480

(3β,25R)-6-Methylspirost-5-en-3-yl acetate Specification

The (3β,25R)-6-Methylspirost-5-en-3-yl acetate has the CAS registry number 6877-73-2. It belongs to the product category of Steroids. Its EINECS number is 229-983-6. This chemical's molecular formula is C₃₀H₄₆O₄ and formula weight is 470.68. What's more, its systematic name is (25R)-6-Methylspirost-5-en-3beta-ol acetate.

Physical properties of (3β,25R)-6-Methylspirost-5-en-3-yl acetate are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/BCF (pH 5.5): 201627.91; (5)ACD/KOC (pH 5.5): 218058.48; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 44.76 Å²; (10)Index of Refraction: 1.546; (11)Molar Refractivity: 133.34 cm³; (12)Molar Volume: 420.6 cm³; (13)Surface Tension: 42.4 dyne/cm; (14)Density: 1.11 g/cm³; (15)Flash Point: 227 °C; (16)Enthalpy of Vaporization: 81.87 kJ/mol; (17)Boiling Point: 540.9 °C at 760 mmHg; (18)Vapour Pressure: 9.15E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]2C/C1=C(\C)C[C@@H]5[C@@H]([C@@]1(C)CC2)CC[C@@]6([C@@H]4[C@@H](O[C@@]3(OC[C@@H](CC3)C)[C@H]4C)C[C@@H]56)C)C
(2)InChI: InChI=1S/C30H46O4/c1-17-7-12-30(32-16-17)19(3)27-26(34-30)15-25-22-13-18(2)24-14-21(33-20(4)31)8-10-28(24,5)23(22)9-11-29(25,27)6/h17,19,21-23,25-27H,7-16H2,1-6H3/t17-,19+,21+,22-,23+,25+,26+,27+,28-,29+,30-/m1/s1
(3)InChIKey: OGEFDNIZNJRWMH-AUBPAKAUSA-N

Product Name

6-METHYLDIOSGENIN ACETATE

(3β,25R)-6-Methylspirost-5-en-3-yl acetate Specification

Related Products

Hot Products