Cas no 151606-24-5 (Ergosta-6,22,25-trien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)-)
151606-24-5 structure
Product Name:Ergosta-6,22,25-trien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)-
CAS No:151606-24-5
MF:C28H42O3
MW:426.63128900528
CID:156065
Update Time:2025-04-19
Ergosta-6,22,25-trien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)- Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-6,22,25-trien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)-
- Axinylsterol
- (3S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(1R,2E,4S)-1,4,5-trimethylhexa-2,5-dien-1-yl]-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol
- 5,8-Epidioxyergosta-6,22,25-trien-3-ol
-
- Inchi： 1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,19-24,29H,1,9-14,17H2,2-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
- InChI Key： MSFASZXZLNRTBR-KGHQQZOUSA-N
- SMILES： O1[C@]23C=C[C@]4(C[C@H](CC[C@]4(C)[C@H]2CC[C@]2(C)[C@@H]([C@@H](/C=C/[C@@H](C(=C)C)C)C)CC[C@@H]32)O)O1
Computed Properties
- Exact Mass: 426.313395
- Monoisotopic Mass: 426.313395
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 815
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7
Experimental Properties
- Density: 1.09
- Boiling Point: 504.4°Cat760mmHg
- Flash Point: 258.8°C
- Refractive Index: 1.558
Ergosta-6,22,25-trien-3-ol,5,8-epidioxy-, (3b,5a,8a,22E)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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