6beta,11alpha-Dihydroxyprogesterone
Basic information
- CAS
600-48-6- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C- InChIKey
KDHBHXVDYRGRDL-KDZLLLCRSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Overview
6beta,11alpha-Dihydroxyprogesterone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 6beta,11alpha-Dihydroxyprogesterone
- IUPAC
- (6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6,11-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
6beta,11alpha-DihydroxyprogesteroneNSC-9732NSC-48978UNII-VAQ5I8C7JSVAQ5I8C7JS6beta,11alpha-Dihydroxypregn-4-ene-3,20-dione6-beta,11-alpha-Dihydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 6beta,11alpha-dihydroxy-6.BETA.,11.ALPHA.-DIHYDROXYPROGESTERONE6.BETA.,11.ALPHA.-DIHYDROXYPREGN-4-ENE-3,20-DIONEPREGN-4-ENE-3,20-DIONE, 6.BETA.,11.ALPHA.-DIHYDROXY-RefChem:105346
Show more names
600-48-6CHEBI:79865NSC9732NSC48978LMST02030345(6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6,11-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneQ27149004
Database identifiers
- CAS
600-48-6- PubChem CID
- 222805
- ChEBI
CHEBI:79865- UNII
- VAQ5I8C7JS
- Nikkaji
- J337.176J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 652
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
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Related reactions
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Compound notes
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