Cas no 66774-44-5 (12-methyl-18-norcholesta-8,11,13-trien-3-ol)
66774-44-5 structure
Product Name:12-methyl-18-norcholesta-8,11,13-trien-3-ol
CAS No:66774-44-5
MF:C27H44O
MW:384.637668609619
CID:964617
PubChem ID:6455365
Update Time:2025-04-19
12-methyl-18-norcholesta-8,11,13-trien-3-ol Chemical and Physical Properties
Names and Identifiers
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- 12-methyl-18-norcholesta-8,11,13-trien-3-ol
- (3S,5S,8R,17R)-10,12-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
- 18-Norcholesta-9,11,13-trien-3-ol, 12-methyl-, (3beta,5alpha)-
- DTXSID00985343
- 66774-44-5
- 12-Methyl-18-norcholesta-11,13-dien-3-ol
- 12-Mncto
-
- Inchi： 1S/C27H44O/c1-17(2)7-6-8-18(3)22-11-12-24-23-10-9-20-16-21(28)13-14-27(20,5)25(23)15-19(4)26(22)24/h15,17-18,20-23,25,28H,6-14,16H2,1-5H3/t18-,20+,21+,22-,23+,25?,27?/m1/s1
- InChI Key： PMIXTMPJMCOGAB-MPOUTZNLSA-N
- SMILES： O[C@H]1CCC2(C)[C@H](C1)CC[C@H]1C3CC[C@H]([C@H](C)CCCC(C)C)C=3C(C)=CC21
Computed Properties
- Exact Mass: 384.33942
- Monoisotopic Mass: 384.339216
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 641
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 7.1
Experimental Properties
- Density: 1
- Boiling Point: 493.1°C at 760 mmHg
- Flash Point: 212.1°C
- Refractive Index: 1.534
- PSA: 20.23
12-methyl-18-norcholesta-8,11,13-trien-3-ol Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
66774-44-5 (12-methyl-18-norcholesta-8,11,13-trien-3-ol) Related Products
- 67-97-0(Vitamin D3)
- 434-16-2((3b)-7-Dehydro Cholesterol)
- 64284-64-6((3β,5α)-4,4-Dimethylcholesta-8,14,24-trien-3-ol(Contain up to 15% ?25 isomer))
- 474-69-1(Lumisterol)
- 50-14-6(Vitamin D2)
- 57-87-4(Ergosterol Standard)
- 1715-86-2(7-Dehydro Desmosterol)
- 22350-41-0(5,6-trans-Vitamin D3)
- 511-28-4(Vitamin D4)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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