Basic information
- CAS
8055-33-2- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
WDPFQABQVGJEBZ-MAKOZQESSA-N- Molecular formula
- C37H52O4
- Average molar mass
- 560.8 g/mol
- Monoisotopic mass
- 560.38656014
Overview
Bothermon is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-hydroxy-, (17beta)-, mixt. with (17beta)-estra-1,3,5(10)-triene-3,17-diol
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
8055-33-2RefChem:1076974Androst-4-en-3-one, 17-hydroxy-, (17beta)-, mixt. with (17beta)-estra-1,3,5(10)-triene-3,17-diolBothermon(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolEstradiol-testosterone mixt.Bothermon (TN)Testosterone-17-beta-estradiol mixt.Estradiol TestosteroneEstradiol and testosteroneAndrost-4-en-3-one, 17-hydroxy-, (17-beta)-, mixt with (17-beta)-1,3,5(10)-triene-3,17-diolSCHEMBL1823535
Show more names
CHEBI:31301WDPFQABQVGJEBZ-MAKOZQESSA-NDTXSID301001311D0192117-Hydroxyandrost-4-en-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)17beta-Hydroxyandrost-4-en-3-one--estra-1(10),2,4-triene-3,17beta-diol (1/1)
Database identifiers
- CAS
8055-33-2- PubChem CID
- 66445
- DTXSID
DTXSID301001311- ChEBI
CHEBI:31301
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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