Cas no 24869-99-6 (Androstane-3,17-diol,17-(hydrogen sulfate), (3a,5a,17b)- (9CI))
24869-99-6 structure
Product Name:Androstane-3,17-diol,17-(hydrogen sulfate), (3a,5a,17b)- (9CI)
CAS No:24869-99-6
MF:C19H32O5S
MW:372.51938533783
CID:281384
PubChem ID:152682
Update Time:2025-04-19
Androstane-3,17-diol,17-(hydrogen sulfate), (3a,5a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androstane-3,17-diol,17-(hydrogen sulfate), (3a,5a,17b)- (9CI)
- [(8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
- AD Sulfate
- Androstane-3,17-diol 17-sulfate
- Androstane-3,17-diol 17-sulphate
- 24869-99-6
- Androstane-3,17-diol, 17-(hydrogen sulfate), (3alpha,5alpha,17beta)-
- SCHEMBL3366449
- 3-Hydroxyandrostan-17-yl hydrogen sulfate
- Androstane-3,17-diol,17-(hydrogen sulfate),(3a,5a,17b)-(9ci)
- DTXSID60947765
-
- Inchi： 1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1
- InChI Key： KWYNDVHEQWYGIL-CAHXEBCQSA-N
- SMILES： S(=O)(=O)(O)OC1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(CC3CC[C@H]12)O
Computed Properties
- Exact Mass: 372.19700
- Monoisotopic Mass: 372.197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 628
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- Density: 1.28
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.569
- PSA: 92.21000
- LogP: 4.65880
Androstane-3,17-diol,17-(hydrogen sulfate), (3a,5a,17b)- (9CI) Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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