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Registration Dossier
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EC number: 200-164-5 | CAS number: 53-16-7
Reference substances
- IUPAC name:
- estrone
Inventory
- EC number:
- 200-164-5
- EC name:
- Estrone
- CAS number:
- 53-16-7
- CAS number:
- 53-16-7
Synonyms
- Names:
- (8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
- 1,3,5(10)-Estratrien-3-ol-17-one
- 3-hydroxyestra-1,3,5(10)-trien-17-one
- Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
- Estra-1,3,5(10)-triene-3-ol-17-one
- Identifier:
- IUPAC name
- (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- Identifier:
- IUPAC name
- estrone
- Identifier:
- PubChem
- 5870
- Identifier:
- other: Molecular formula
- 53-16-7
- Identifier:
- other: SMILES notation
- C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
- Identifier:
- other: 8CI
- Estrone
- Identifier:
- other: InChl
- InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
- Identifier:
- other: InChl
- InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
- Identifier:
- other: SMILES notation
- [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]
- 3-hydroxyestra-1,3,5(10)-trien-17-one
Molecular and structural information
- Molecular formula:
- C18H22O2
- Molecular weight:
- 270.366
- SMILES notation:
- C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
- InChl:
- InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
- Structural formula:
Related substances
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