HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

17-Hydroxy-17-methylandrostan-3-one

HCID 4079
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O
InChIKey
WYZDXEKUWRCKOB-UHFFFAOYSA-N
Molecular formula
C20H32O2
Average molar mass
304.5 g/mol
Monoisotopic mass
304.24023026

Names & identifiers

Preferred name
17-Hydroxy-17-methylandrostan-3-one
IUPAC
17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

17-Hydroxy-17-methylandrostan-3-oneMestalineNCGC00183127-01NCIOpen2_007528DAA27558MFCD00065900AKOS01599832117-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneLS-14823DB-052072NS00134355

Database identifiers

PubChem CID
4079

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Formal charge
0
Complexity
500

Related reactions

2 records
New reaction record
HRID 177754 reaction equation
HRID 177754As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 178061 reaction equation
HRID 178061As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes