Basic information
- CAS
53-39-4- Standard SMILES
CC12COC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O- InChIKey
QSLJIVKCVHQPLV-UHFFFAOYSA-N- Molecular formula
- C19H30O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.21949481
Names & identifiers
- Preferred name
- 17-beta-Hydroxy-17-methyl-2-oxa-androstan-3-one
- IUPAC
- 1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one
Names & synonyms
1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one17-.beta.-hydroxy-17-methyl-2-oxa-androstan-3-one17.beta.-Hydroxy-17-methyl-2-oxa-5.alpha.-androstan-3-one2-Oxa-5.alpha.-androstan-3-one, 17.beta.-hydroxy-17-methyl-8075 C. B.8075CBSCHEMBL34404017.beta.-Hydroxy-17.alpha.-methyl-2-oxa-5.alpha.-androstan-3-one2-Oxaandrostan-3-one, 17-hydroxy-17-methyl-, (5.alpha.,17.beta.)-QSLJIVKCVHQPLV-UHFFFAOYSA-N1H-Benz(e)indene-7-acetic acid, dodecahydro-3-hydroxy-6-(hydroxymethyl)-3,3a,6-trimethyl-, .delta.-lactoneDB-052328
Show more names
NS000143512-Oxaandrostan-3-one, (5.alpha.,17.beta.)-1H-Benz[e]indene-7-acetic acid,3a,6-trimethyl-, .delta.-lactone
Database identifiers
- CAS
53-39-4- PubChem CID
- 249098
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
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Compound notes
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