Cas no 51020-48-5 ( )
structure
Product Name:
CAS No:51020-48-5
MF:C23H34O3
MW:358.514267444611
CID:934614
PubChem ID:296383
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
- NSC-166500
- NSC-401313
- D86920
- PD118998
- DTXSID50922203
- 5.beta.-Pregn-16-en-20-one, acetate
- 51020-48-5
- YFMSIVMSEGIVCP-UHFFFAOYSA-N
- NSC401313
- 3-Acetyloxypregn-16-en-20-one
- NSC-226099
- 20-Oxopregn-16-en-3-yl acetate
- NSC166500
- Allopregn-16-enolone acetate
- NSC226099
- 1169-20-6
- 20-Oxopregn-16-en-3-yl acetate #
-
-
- Inchi： 1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3
- InChI Key： YFMSIVMSEGIVCP-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C(C1)CCC1C3CC=C(C(C)=O)C3(C)CCC21
Computed Properties
- Exact Mass: 358.25079494g/mol
- Monoisotopic Mass: 358.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 650
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 43.4?2
Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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