Registration Dossier
Registration Dossier
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EC number: 614-710-9 | CAS number: 6870-94-6
Reference substances
- IUPAC name:
- (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-acetyl-1,10-dihydroxy-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Inventory
Synonyms
- Names:
- Identifier:
- IUPAC name
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-, (6α,11β)-
- Identifier:
- common name
- Deltamedrane
- Identifier:
- other: InChl
- 1S/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3/t12?,15-,16-,18?,19+,20-,21-,22-/m0/s1
- Identifier:
- other: Molecular formula
- C22H30O4
- Identifier:
- other: SMILES notation
- CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)C)O
- 11.beta.,17.alpha.-Dihydroxy-6.alpha.-methylpregna-1,4-diene-3,20-dione
Molecular and structural information
- Molecular formula:
- C22H30O4
- Molecular weight:
- 358.477
- SMILES notation:
- [C@@]12(C(CC[C@]1(O)C(=O)C)C4C([C@H](C2)O)[C@@]3(C(=CC(C=C3)=O)[C@H](C4)C)C)C
- InChl:
- InChI=1/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3/t12-,15?,16?,18-,19?,20-,21-,22-/m0/s1
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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