Basic information
- CAS
1165-28-2- Standard SMILES
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
SCPADBBISMMJAW-OYMMSLOLSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Names & identifiers
- Preferred name
- (20R)-5beta-Pregnane-3alpha,17,20-triol
- IUPAC
- (3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 5β-Pregnane-3α-17α-20β-triol*crystalline
- Molecular formula
- C21H36O3
- Molecular weight
- 336.50874
Names & synonyms
1165-28-2(20R)-5beta-Pregnane-3alpha,17,20-triol5B-PREGNANE-3A-17A-20B-TRIOL*CRYSTALLINE(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol20-EPIPREGNANTRIOLEINECS 214-614-3SCHEMBL8677899CHEMBL1908041DTXSID401310183FE657845beta-Pregnan-alpha,17alpha,20beta-triol5beta-Pregnan-3alpha,17alpha,20alpha-triol
Show more names
(20R)-PregnanetriolAllopregnan-3,17,20β-triolallo-Pregnan-3,17,20β-triol5β-PREGNAN-3α, 17, 20β-TRIOL5β-Pregnane-3α,17α,20β-Triol(20R)-5β-Pregnane-3α,17,20-triol3α,17α,20β-Trihydroxy-5β-Pregnane(20R)-5β-Pregnane-3α,17α,20-triol5β-Pregnane-3α-17α-20β-triol*crystalline
NS000814895beta-PREGNAN-3alpha, 17, 20beta-TRIOL5I(2)-Pregnane-3I+/-,17,20I(2)-triol
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
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Compound notes
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