Cas no 34347-58-5 (24-methylpollinastanol)
24-methylpollinastanol structure
Product Name:24-methylpollinastanol
CAS No:34347-58-5
MF:C29H50O
MW:414.706709384918
CID:305234
PubChem ID:13755767
Update Time:2024-02-29
24-methylpollinastanol Chemical and Physical Properties
Names and Identifiers
-
- 9,19-Cycloergostan-3-ol,14-methyl-, (3b,5a,24R)-
- 24-Methylpollinastanol
- CID 101826502
- 14α-Methyl-9β,19-cycloergostan-3β-ol
- 9,19-Cycloergostan-3-ol, 14-methyl-, (3β,5α,24R)-
- 24-methylpollinastanol
-
- Inchi： 1S/C29H50O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19-25,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24-,25+,26-,27+,28-,29+/m1/s1
- InChI Key： OLYMLXYZIJLUMG-SSIFYAQHSA-N
- SMILES： O[C@H]1CC[C@@]23[C@H](C1)CC[C@H]1[C@]4(C)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@]21C3
Computed Properties
- Exact Mass: 414.386166214g/mol
- Monoisotopic Mass: 414.386166214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 669
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 9.6
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 499.4±14.0 °C(Predicted)
- pka: 15.10±0.70(Predicted)
24-methylpollinastanol Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergosterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives
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