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2-bromo-N-(3,4-dimethoxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl)propanamide

HCID 330883
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Basic information

CAS
65386-69-8
Standard SMILES
COc1c(C(C)C)cc2c(c1OC)C13CCCC(C)(C)C1C(OC3=O)C2NC(=O)C(C)Br
InChIKey
UBZNABHWEBOHFW-UHFFFAOYSA-N
Molecular formula
C25H34BrNO5
Average molar mass
508.4 g/mol
Monoisotopic mass
507.16204

Names & identifiers

Preferred name
2-bromo-N-(3,4-dimethoxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl)propanamide
IUPAC
2-bromo-N-(3,4-dimethoxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl)propanamide

Names & synonyms

NSC32054565386-69-8DTXSID80317784NSC-3205452-Bromo-N-[11,12-dimethoxy-20-oxo-6,20-epoxyabieta-8(14),9(11),12-trien-7-yl]propanamide

Database identifiers

CAS
65386-69-8
PubChem CID
330883
DTXSID
DTXSID80317784

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
757

Related reactions

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Compound notes

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