3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Basic information
- Standard SMILES
CC12CCC(O)CC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO- InChIKey
SYGWGHVTLUBCEM-UHFFFAOYSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22497412
Overview
3beta,5beta-tetrahydrocortisone is a 21-hydroxy steroid.
Names & identifiers
- Preferred name
- 3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
- IUPAC
- 3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Names & synonyms
allo-Tetrahydro cortisoneNCIOpen2_0084363beta,5beta-tetrahydrocortisoneSCHEMBL1184193DTXSID40861576CHEBI:191022KJC50148THE3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one3,17,21-Trihydroxypregnane-11,20-dioneNS00000028
Database identifiers
- PubChem CID
- 618110
- DTXSID
DTXSID40861576- ChEBI
CHEBI:191022
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
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Related reactions
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Compound notes
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