Cas no 93368-89-9 ((3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol)
93368-89-9 structure
Product Name:(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol
CAS No:93368-89-9
MF:C28H50O6
MW:482.693009853363
CID:1982162
PubChem ID:185259
Update Time:2025-04-21
(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol Chemical and Physical Properties
Names and Identifiers
-
- (3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol
- Ergostane-3,6,8,15,16,26-hexol
- 93368-89-9
- Ergostane-3,6,8,15,16,26-hexol #
- MFAGYYNGXJIORY-QJROANQCSA-N
- 24xi-Methyl-5alpha-cholestane-3beta,6alpha,8,15alpha,16beta,26-hexol
- DTXSID10918480
- 24-.Xi.-methyl-5.alpha.-cholestane-3.beta.,6.alpha.,8,15.alpha.,16.beta.,26-hexol
-
- Inchi: 1S/C28H50O6/c1-15(17(3)14-29)6-7-16(2)22-23(32)24(33)25-27(22,5)11-9-21-26(4)10-8-18(30)12-19(26)20(31)13-28(21,25)34/h15-25,29-34H,6-14H2,1-5H3
- InChI Key: MFAGYYNGXJIORY-UHFFFAOYSA-N
- SMILES: CC(C(CCC(C1C2(CCC3C(C2C(O)C1O)(O)CC(O)C1C3(CCC(C1)O)C)C)C)C)CO
Computed Properties
- Exact Mass: 482.361
- Monoisotopic Mass: 482.361
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 732
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.197
- Boiling Point: 623.3°C at 760 mmHg
- Flash Point: 259.6°C
- Refractive Index: 1.572
(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxy bile acids, alcohols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Hydroxy bile acids, alcohols and derivatives
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