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1-(2-Hydroxy-4a,6a,8-trimethyl-1,2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethan-1-one

HCID 85672
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
14022-55-0
Standard SMILES
CC(=O)C12N=C(C)OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey
DZPFGVQQPONIOI-UHFFFAOYSA-N
Molecular formula
C23H33NO3
Average molar mass
371.5 g/mol
Monoisotopic mass
371.24604391

Names & identifiers

Preferred name
1-(2-Hydroxy-4a,6a,8-trimethyl-1,2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethan-1-one
IUPAC
1-(16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-8-yl)ethanone

Names & synonyms

DTXSID50930742NS000529321-(2-Hydroxy-4a,6a,8-trimethyl-1,2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethan-1-one

Database identifiers

CAS
14022-55-0
PubChem CID
85672
DTXSID
DTXSID50930742

Properties

Computed structural properties

XLogP
3
Topological polar surface area
58.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
27
Formal charge
0
Complexity
757

Related reactions

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Compound notes

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