5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE (CAS 4004-70-0) — formula C25H38O7, molecular weight 450.6; category organic chemicals.
| CAS Number | 4004-70-0 |
|---|---|
| Molecular Formula | C25H38O7 |
| Molecular Weight | 450.6 |
| LogP | 3.1 |
| Category | Organic Chemicals |
5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE is a carbon-based organic compound with CAS registry number 4004-70-0 and molecular formula C25H38O7 (molecular weight 450.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4004-70-0
Its molecular formula C25H38O7 comprises 25 C, 38 H, 7 O atoms.
Also known as: 5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE · 5-α-妊娠-3-α、11-β、17,21-四醇-20-一3,21-二乙酸酯
Category: organic chemicals
The CAS registry number of 5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE is 4004-70-0.
Molecular formula C25H38O7, molecular weight 450.6.
It is also registered under: 5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE, 5-α-妊娠-3-α、11-β、17,21-四醇-20-一3,21-二乙酸酯.
Category: Organic Chemicals.
Independent reference data for 5-ALPHA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE 3,21-DIACETATE (CAS 4004-70-0), compiled from public chemistry databases.
| CAS 号 | 4004-70-0 |
|---|---|
| PubChem CID | 45045347 |
| 分子式 | C25H38O7 |
| IUPAC 名称 | [2-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate |
| UNII（FDA） | 47150L7IUL |
| Molecular Weight | 450.6 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.26175355 |
| Monoisotopic Mass | 450.26175355 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 32 |
4004-70-0; UNII-47150L7IUL; 47150L7IUL; Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one 3,21-diacetate; Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one 3,21-diacetate [MI]; Pregnan-20-one, 3,21-bis(acetyloxy)-11,17-dihydroxy-, (3alpha,5alpha,11beta)-; Pregnan-20-one, 3,21-bis(acetyloxy)-11,17-dihydroxy-, (3.alpha.,5.alpha.,11.beta.)-; ALLOPREGNANE-3.ALPHA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE; ALLOPREGNANE-3.ALPHA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE [MI]; RefChem:110822; AKOS024420953; Q27258986; (3alpha,5alpha,11beta)-21-(acetyloxy)-11,17-dihydroxy-20-oxopregnan-3-yl acetate; 5alpha-PREGNAN-3alpha, 11beta, 17, 21-TETROL-20-ONE 3, 21-DIACETATE
5-α-妊娠-3-α、11-β、17,21-四醇-20-一3,21-二乙酸酯 · CAS 4004-70-0 · C25H38O7. UNII 47150L7IUL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.