Cas no 3514-59-8 ((25R)-5alpha-spirosta-3,6-dione)
3514-59-8 structure
Product Name:(25R)-5alpha-spirosta-3,6-dione
CAS No:3514-59-8
MF:C27H40O4
MW:428.604108810425
CID:2007793
PubChem ID:13889197
Update Time:2025-04-21
(25R)-5alpha-spirosta-3,6-dione Chemical and Physical Properties
Names and Identifiers
-
- (25R)-5alpha-spirosta-3,6-dione
- (25R)-5alpha-spirostan-3,6-dione
- Chlorogenon
- Chlorogenone
- Spirostane-3,6-dione
- 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-dione
- CHEBI:175478
- Spirostan-3,6-dione, (5alpha,25R)-
- (25r)-5alpha-spirostane-3,6-dione
- DTXSID501306802
- SCHEMBL16039251
- 3514-59-8
- Spirostan-3,6-dione, (5I+/-,25R)-
-
- Inchi： 1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1
- InChI Key： CGXQJOWMWZPOPV-VNDFWDEUSA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC([C@H]4CC(CC[C@]4(C)[C@H]3CC[C@@]12C)=O)=O
Computed Properties
- Exact Mass: 428.29265975g/mol
- Monoisotopic Mass: 428.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 807
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 11
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 52.6?2
(25R)-5alpha-spirosta-3,6-dione Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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