Cas no 6808-20-4 (Purpnigenin)
Purpnigenin structure
Product Name:Purpnigenin
CAS No:6808-20-4
MF:C21H32O4
MW:348.476387023926
CID:519689
Update Time:2024-03-01
Purpnigenin Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-en-20-one,3,14,15-trihydroxy-, (3b,14b,15a)- (9CI)
- 14b-Pregn-5-en-20-one, 3b,14,15a-trihydroxy- (6CI,8CI)
- Purpnigenin
-
- Inchi： 1S/C21H32O4/c1-12(22)17-11-18(24)21(25)16-5-4-13-10-14(23)6-8-19(13,2)15(16)7-9-20(17,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20+,21+/m0/s1
- InChI Key： NFYYPFILPLFEGH-MXYSOCMLSA-N
- SMILES： O[C@]12[C@H](C[C@H](C(C)=O)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@@H]21)O)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 627
- Topological Polar Surface Area: 77.8
Purpnigenin Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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