Cas no 13416-70-1 (22-Hydroxy-7beta-acetoxyhopan)
22-Hydroxy-7beta-acetoxyhopan structure
Product Name:22-Hydroxy-7beta-acetoxyhopan
CAS No:13416-70-1
MF:C32H54O3
MW:486.769370555878
CID:1999118
PubChem ID:21574563
Update Time:2025-04-21
22-Hydroxy-7beta-acetoxyhopan Chemical and Physical Properties
Names and Identifiers
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- 22-Hydroxy-7beta-acetoxyhopan
- 7-Ac-7beta-7,22-Hopanediol
- 7beta-acetoxy-22-hydroxyhopane
- 7β-Acetyloxyhopan-22-ol
- [(3S,3aS,5aR,5bR,6S,7aS,11aS,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-6-yl] acetate
- 13416-70-1
-
- Inchi： 1S/C32H54O3/c1-20(33)35-26-19-25-27(2,3)15-10-16-30(25,7)24-12-11-23-29(6)17-13-21(28(4,5)34)22(29)14-18-31(23,8)32(24,26)9/h21-26,34H,10-19H2,1-9H3/t21-,22-,23+,24+,25-,26-,29-,30+,31+,32-/m0/s1
- InChI Key： PEGGYZGIHAGHMO-PCCHAIRJSA-N
- SMILES： O(C(C)=O)[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@@]3(C)[C@@]21C
Computed Properties
- Exact Mass: 486.40729558g/mol
- Monoisotopic Mass: 486.40729558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 876
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 46.5?2
22-Hydroxy-7beta-acetoxyhopan Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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