11-Pregnene-3,20-dione
Basic information
- CAS
26423-79-0- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C- InChIKey
ZQTJQOPWOKKYDC-CVHNGYJVSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- 11-Pregnene-3,20-dione
- IUPAC
- (8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 11-Pregnene-3,20-dione
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
11-PREGNENE-3,20-DIONERefChem:437279636-770-5Pregn-11-ene-3,20-dione26423-79-0(8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-onedelta(sup 11)-Pregnene-3,20-dioneBRN 22965644-07-00-02402 (Beilstein Handbook Reference)SCHEMBL7374545
Database identifiers
- CAS
26423-79-0- PubChem CID
- 213490
- EC Number
- 636-770-5
- Nikkaji
- J83.659A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 31 GMW700U3 · 31GMW700U3
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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