Cas no 55870-01-4 ((3beta,28S)-24,28-epoxystigmast-5-en-3-ol)
55870-01-4 structure
Product Name:(3beta,28S)-24,28-epoxystigmast-5-en-3-ol
CAS No:55870-01-4
MF:C29H48O2
MW:428.690229415894
CID:1601524
PubChem ID:191394
Update Time:2025-04-21
(3beta,28S)-24,28-epoxystigmast-5-en-3-ol Chemical and Physical Properties
Names and Identifiers
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- (3beta,28S)-24,28-epoxystigmast-5-en-3-ol
- (3beta,24S,28S)-fucosterol epoxide
- (3beta,24S,24'S)-fucosterol epoxide
- 55870-01-4
- LMST01040168
- Stigmast-5-en-3-ol, 24,28-epoxy-, (3beta,28S)-
- 24,28-Epoxystigmast-5-en-3beta-ol
- CHEBI:173028
- Fucosterol-24,28-oxide
- 24S,28S-epoxystigmast-5-en-3beta-ol
- 24,28-Epoxy-24-ethylcholesterol
- (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(2S,3S)-3-methyl-2-propan-2-yloxiran-2-yl]butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
-
- Inchi： 1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
- InChI Key： XUBCLKHKJZCPFZ-WGLRHWGRSA-N
- SMILES： O1[C@@H](C)[C@@]1(C(C)C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 428.36564
- Monoisotopic Mass: 428.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 726
- 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: 7.6
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- PSA: 32.76
(3beta,28S)-24,28-epoxystigmast-5-en-3-ol Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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