Cas no 10005-42-2 (Pregn-5-en-20-one,3,11,12,14-tetrahydroxy-, (3b,11a,12b,14b)- (9CI))
10005-42-2 structure
Product Name:Pregn-5-en-20-one,3,11,12,14-tetrahydroxy-, (3b,11a,12b,14b)- (9CI)
CAS No:10005-42-2
MF:C21H32O5
MW:364.475787162781
CID:168345
PubChem ID:12309368
Update Time:2025-04-19
Pregn-5-en-20-one,3,11,12,14-tetrahydroxy-, (3b,11a,12b,14b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregn-5-en-20-one,3,11,12,14-tetrahydroxy-, (3b,11a,12b,14b)- (9CI)
- 3β,11α,12β,14β-Tetrahydroxypregn-5-en-20-one
- 14b-Pregn-5-en-20-one, 3b,11a,12b,14-tetrahydroxy- (7CI,8CI)
- Drevogenin
- Drevogenin P
- 10005-42-2
- 1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-3,11,12,14-Tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
-
- Inchi： 1S/C21H32O5/c1-11(22)14-7-9-21(26)15-5-4-12-10-13(23)6-8-19(12,2)16(15)17(24)18(25)20(14,21)3/h4,13-18,23-26H,5-10H2,1-3H3/t13-,14+,15+,16+,17-,18+,19-,20-,21-/m0/s1
- InChI Key： CVHASQAGSWPYGV-VVTARLSHSA-N
- SMILES： O[C@]12CC[C@H](C(C)=O)[C@@]1(C)[C@@H]([C@H]([C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@@H]21)O)O)O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 364.22497412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 659
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 52.54
Pregn-5-en-20-one,3,11,12,14-tetrahydroxy-, (3b,11a,12b,14b)- (9CI) Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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