5Alpha-hydroxy-6beta-methyltigogenin
Basic information
- CAS
73927-85-2- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CC(C)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
KEOLCBLQBIWDBI-UHFFFAOYSA-N- Molecular formula
- C28H46O4
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.33960994
Names & identifiers
- Preferred name
- 5Alpha-hydroxy-6beta-methyltigogenin
- IUPAC
- 5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol
Names & synonyms
RefChem:5380085alpha-Hydroxy-6beta-methyltigogenin654-273-16-Methylspirostan-3,5-diol #KEOLCBLQBIWDBI-UHFFFAOYSA-N5.alpha.-Hydroxy-6.beta.-methyltigogenin5-alpha-HYDROXY-6beta-METHYLTIGOGENIN6.beta.-Methyl-5.alpha.-hydroxy-tigogenin(25R)-6-.beta.-Methyl-5-.alpha.-spirostan-3-.beta.,5-.alpha.-diol5-.alpha.-Spirostan-3-.beta.,5-.alpha.-diol, 6-.beta.-methyl-, (25R)-
Database identifiers
- CAS
73927-85-2- PubChem CID
- 586952
- EC Number
- 654-273-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 771
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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