16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
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Basic information
- CAS
19304-29-1- Standard SMILES
CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
YWMWIAVBBQGFEY-MTJPYDJLSA-N- Molecular formula
- C25H36O4
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.26135963
Overview
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
- IUPAC
- (1R,2S,4R,8S,9S,12S,13R,19S)-8-acetyl-6,6,9,13,19-pentamethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
- English name
- 16-.alpha., 17-dihydroxy-6-.alpha.-methylpregn-4-ene-3,20-dione, cycli c acetal with acetone
- Molecular formula
- C25H36O4
- Molecular weight
- 400.55094
Names & synonyms
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone19304-29-1UNII-A564VVA55ZA564VVA55ZNSC 56948NSC-5694816alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone16.ALPHA.,17-ISOPROPYLIDENEDIOXY-6.ALPHA.-METHYLPROGESTERONEPREGN-4-ENE-3,20-DIONE, 16.ALPHA.,17-DIHYDROXY-6.ALPHA.-METHYL-, CYCLIC ACETAL WITH ACETONEPREGN-4-ENE-3,20-DIONE, 6-METHYL-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,16.ALPHA.)-PROGESTERONE, 16.ALPHA.,17-DIHYDROXY-6.ALPHA.-METHYL-, CYCLIC 16,17-ACETAL WITH ACETONERefChem:79064
Show more names
PROGESTERONE, 16ALPHA,17-DIHYDROXY-6ALPHA-METHYL-, CYCLIC 16,17-ACETAL WITH ACETONEPREGN-4-ENE-3,20-DIONE, 16ALPHA,17-DIHYDROXY-6ALPHA-METHYL-, CYCLIC ACETAL WITH ACETONEPREGN-4-ENE-3,20-DIONE, 6-METHYL-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6ALPHA,16ALPHA)-(1R,2S,4R,8S,9S,12S,13R,19S)-8-acetyl-6,6,9,13,19-pentamethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-oneCHEBI:79782NSC5694816-.alpha., 17-dihydroxy-6-.alpha.-methylpregn-4-ene-3,20-dione, cycli c acetal with acetone16-.alpha.,20-dione, cyclic acetal with acetone
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 812
Physicochemical properties
- FDA UNII
- 564 VVA55Z · A564VVA55Z
Chemistry & industry
Additional notes
DefinitionChEBI: 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone is a corticosteroid hormone.
Related reactions
0 records
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Compound notes
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