3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid (CAS 53212-83-2) — formula C21H28O4S, molecular weight 376.5; category organic chemicals.
| CAS Number | 53212-83-2 |
|---|---|
| Molecular Formula | C21H28O4S |
| Molecular Weight | 376.5 |
| LogP | 3.7 |
| Category | Organic Chemicals |
3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid is a carbon-based organic compound with CAS registry number 53212-83-2 and molecular formula C21H28O4S (molecular weight 376.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53212-83-2
Its molecular formula C21H28O4S comprises 21 C, 28 H, 4 O, 1 S atoms.
Also known as: 3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid · 3-(((((7R,8R,9S,13S,14S,17S)-3,17-二羟基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢- 6H-环戊[a]菲-7-硫基）丙酸
Category: organic chemicals
The CAS registry number of 3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid is 53212-83-2.
Molecular formula C21H28O4S, molecular weight 376.5.
It is also registered under: 3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid, 3-(((((7R,8R,9S,13S,14S,17S)-3,17-二羟基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢- 6H-环戊[a]菲-7-硫基）丙酸.
Category: Organic Chemicals.
Independent reference data for 3-(((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)thio)propanoic acid (CAS 53212-83-2), compiled from public chemistry databases.
| CAS 号 | 53212-83-2 |
|---|---|
| PubChem CID | 67789861 |
| 分子式 | C21H28O4S |
| IUPAC 名称 | 3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid |
| Molecular Weight | 376.5 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 376.17083054 |
| Monoisotopic Mass | 376.17083054 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 26 |
53212-83-2; C21H28O4S; SCHEMBL9184003; MFCD32206594; AKOS037647904; AS-75223; DB-228260; C12702; F798995
3-(((((7R,8R,9S,13S,14S,17S)-3,17-二羟基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢- 6H-环戊[a]菲-7-硫基）丙酸 · CAS 53212-83-2 · C21H28O4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(((((7R,8R,9S,13S,14S,17S)-3,17-二羟基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢- 6H-环戊[a]菲-7-硫基）丙酸