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| CAS No.: | 84605-18-5 |
|---|---|
| Name: | Cycloastragenol |
| Molecular Structure: | |
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| Formula: | C30H50O5 |
| Molecular Weight: | 490.724 |
| Synonyms: | 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene,9,19-cyclolanostane-3,6,16,25-tetrol deriv.;Cyclogalagenin;Astramembrangenin;Cyclogalegigenin;9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-,(3beta,6alpha,16beta,24R)-; |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 617.2 °C at 760 mmHg |
| Flash Point: | 327.1 °C |
| Appearance: | Colorless needle crystal |
| PSA: | 90.15000 |
| LogP: | 4.43660 |
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The Cycloastragenol, with the CAS registry number 84605-18-5,is also known as (3b,6a,16b,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol; Cyclogalagenin; Cyclogalegenin. It belongs to the product categories of palnt extract. This chemical's molecular formula is C30H50O5 and molecular weight is 490.71.What's more,Its systematic name is 9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-,(3beta,6alpha,16beta,24R)-.
Physical properties about Cycloastragenol are:
(1)ACD/LogP: 3.723; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 397.96; (6)ACD/BCF (pH 7.4): 397.96; (7)ACD/KOC (pH 5.5): 2526.78; (8)ACD/KOC (pH 7.4): 2526.78; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 136.488 cm3; (14)Molar Volume: 408.839 cm3; (15)Surface Tension: 52.9930000305176 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 327.055 °C; (18)Enthalpy of Vaporization: 104.945 kJ/mol; (19)Boiling Point: 617.174 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O[C@H]4C[C@H]3[C@]2([C@](C([C@]1(O[C@H](CC1)C(O)(C)C)C)[C@@H](O)C2)(C)CCC36CC56CC[C@H](O)C(C)(C)C45)C;
(2)Std. InChI:InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22?,23?,26+,27-,28-,29?,30?/m0/s1;
(3)Std. InChIKey:WENNXORDXYGDTP-NGPKLKSDSA-N.
