Cas no 51529-11-4 (Stigmast-5-en-3-one)
Stigmast-5-en-3-one structure
Product Name:Stigmast-5-en-3-one
CAS No:51529-11-4
MF:C29H48O
MW:412.690829277039
CID:368640
PubChem ID:9801811
Update Time:2025-04-19
Stigmast-5-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- Stigmast-5-en-3-one
- (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- B-SITOSTERONE
- SITOSTERONE, BETA-(P)
- D5-Sitosterol-3-one
- 3-oxo-24-ethyl-cholest-5-ene
- DTXSID50199498
- beta-Sitosterone
- SCHEMBL7164069
- BDBM50488934
- 51529-11-4
- CHEMBL221543
-
- Inchi： 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： KYOFIJXMVNQYFC-XJZKHKOHSA-N
- SMILES： O=C1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 412.37100
- Monoisotopic Mass: 412.370516150g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 674
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 8.23300
Stigmast-5-en-3-one Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
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
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
51529-11-4 (Stigmast-5-en-3-one) Related Products
- 2318-78-7(A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)-)
- 3846-28-4(Estr-4-en-17-one)
- 23455-44-9(Stigmasta-7,22-dien-3-one,(5a,22E)-)
- 19289-77-1(Estr-\u200b5-\u200bene-\u200b3,\u200b17-\u200bdione)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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