Provitamin D2
(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Provitamin D2|24,25-Epiminolanosterol|Ergosta-5,7,22-trien-3beta-ol|5,7,22-Ergostatrien-3|A-ol|3|A-Hydroxy-5,7,22-ergostatriene|(1R,3aR,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C28H44O |
|---|---|
| Molecular Weight | 396.3392 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.3392 |
| Monoisotopic Mass | 396.3392 |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 57-87-4 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | DNVPQKQSNYMLRS-VVQHAZRASA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Provitamin D2 (CAS 57-87-4), with molecular formula C28H44O and molecular weight 396.3392 g/mol. IUPAC: (3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
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