Cas no 119973-31-8 (26,27-Dinorergosta-3,5,22-triene,(22E)- (9CI))
119973-31-8 structure
Product Name:26,27-Dinorergosta-3,5,22-triene,(22E)- (9CI)
CAS No:119973-31-8
MF:C26H40
MW:352.595808029175
CID:234539
PubChem ID:6436445
Update Time:2025-04-19
26,27-Dinorergosta-3,5,22-triene,(22E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 26,27-Dinorergosta-3,5,22-triene,(22E)- (9CI)
- 10,13-dimethyl-17-[(E)-5-methylhex-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
- 119973-31-8
- 24-Norcholesta-3,5,22-triene
- 26,27-Dinorergosta-3,5,22-triene, (22E)-
-
- Inchi： 1S/C26H40/c1-18(2)9-10-19(3)22-13-14-23-21-12-11-20-8-6-7-16-25(20,4)24(21)15-17-26(22,23)5/h6,8,10-11,18,21-24H,7,9,12-17H2,1-5H3/b19-10+
- InChI Key： BEOQBQAFEBQIMY-VXLYETTFSA-N
- SMILES： C12(C)CCC3C4(C)CCC=CC4=CCC3C1CCC2/C(=C/CC(C)C)/C
Computed Properties
- Exact Mass: 352.3132
- Monoisotopic Mass: 352.313001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 632
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 8.8
Experimental Properties
- Density: 0.97
- Boiling Point: 446.2°Cat760mmHg
- Flash Point: 216.4°C
- Refractive Index: 1.537
- PSA: 0
26,27-Dinorergosta-3,5,22-triene,(22E)- (9CI) Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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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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