Cas no 10005-77-3 (Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI))
10005-77-3 structure
Product Name:Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI)
CAS No:10005-77-3
MF:C21H30O5
MW:362.459907054901
CID:219576
PubChem ID:12314764
Update Time:2025-04-19
Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI)
- 3β,14β,15α-Trihydroxypregn-5-ene-12,20-dione
- 14b-Pregn-5-ene-12,20-dione, 3b,14,15a-trihydroxy- (8CI)
- Purprogenin (6CI)
- Purprogenin
- (3S,8R,9S,10R,13R,14S,15S,17S)-17-acetyl-3,14,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-one
- 3,14,15-Trihydroxypregn-5-ene-12,20-dione-, (3.beta.,14.beta.,15.alpha.)-
- 3beta,14beta,15alpha-Trihydroxypregn-5-ene-12,20-dione
- 10005-77-3
- BCXDCCMNJODXDN-LDLFOAAXSA-N
- Pregn-5-ene-12,20-dione, 3,14,15-trihydroxy-, (3.beta.,14.beta.,15.alpha.)-
- 14.beta.-Pregn-5-ene-12,20-dione, 3.beta.,14,15.alpha.-trihydroxy-
-
- Inchi： 1S/C21H30O5/c1-11(22)15-9-18(25)21(26)14-5-4-12-8-13(23)6-7-19(12,2)16(14)10-17(24)20(15,21)3/h4,13-16,18,23,25-26H,5-10H2,1-3H3/t13-,14+,15+,16-,18-,19-,20-,21+/m0/s1
- InChI Key： BCXDCCMNJODXDN-LDLFOAAXSA-N
- SMILES： O[C@]12[C@H](C[C@H](C(C)=O)[C@@]1(C)C(C[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: 362.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 699
- 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: 0.2
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 52.54
Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI) Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
10005-77-3 (Pregn-5-ene-12,20-dione,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI)) Related Products
- 488856-56-0(Benzenamine, 2,6-diethyl-N-(1H-pyrrol-2-ylmethylene)- (9CI))
- 59468-32-5(3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl-)
- 59467-97-9(3H-1,4-Benzodiazepin-2-amine, N-methyl-5-phenyl-)
- 204203-16-7(2,6-Bis[1-[(2,6-dimethylphenyl)imino]ethyl]pyridine)
- 210537-32-9(2,6-bis[1-(2-methylphenylimino)ethyl]pyridine)
- 59467-98-0(3H-1,4-Benzodiazepin-2-amine, N-methyl-N-nitroso-5-phenyl-)
- 918639-02-8(Phenol, 3-[(phenyl-2-pyridinylmethylene)amino]-)
- 204203-14-5(2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE)
- 850131-81-6(1,3-Propanediamine, N,N'-bis(phenyl-2-pyridinylmethylene)-)
- 681213-35-4(Benzenamine,N-[1-[6-[1-[[3,5-bis(1,1-dimethylethyl)phenyl]imino]ethyl]-2-pyridinyl]ethylidene]-2,4,6-trimethyl-)
Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
