Basic Information | Post buying leads | Suppliers |
Name |
Rhapontisterone B |
EINECS | N/A |
CAS No. | 698975-64-3 | Density | 1.281 g/cm3 |
PSA | 138.45000 | LogP | 1.85400 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H44O7 | Boiling Point | 702.062 °C at 760 mmHg |
Molecular Weight | 480.63 | Flash Point | 392.353 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Diepi-5a-20-hydroxyecdysone;Rhapontisterone B;(2a,3a,5a,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; |
The Rhapontisterone B with its cas register number is 698975-64-3. It also can be called as (2a,3a,5a,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one and the Systematic name about this chemical is (2alpha,3alpha,5alpha,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one.
Physical properties about Rhapontisterone B are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 138.45Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 127.814 cm3; (15)Molar Volume: 375.208 cm3; (16)Polarizability: 50.669x10-24cm3; (17)Surface Tension: 62.28 dyne/cm; (18)Enthalpy of Vaporization: 117.452 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]1(O)C/3=C/C(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]\3CC[C@@]12C
(2)InChI: InChI=1/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17+,19-,20+,21-,22+,24+,25+,26+,27+/m0/s1
(3)InChIKey: NKDFYOWSKOHCCO-UQOIWTFUBK
(4)Std. InChI: InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17+,19-,20+,21-,22+,24+,25+,26+,27+/m0/s1
(5)Std. InChIKey: NKDFYOWSKOHCCO-UQOIWTFUSA-N