Daphnicyclidin I

CAT: 0926-SIC08310-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-SIC08310-01Size:5 mg

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CAS Number

1467083-10-8

Smiles

CC1CN2CC3CCC (=O) C4=C5C3 (C2CC1C (=C5C6=C4CCOC6=O) N) C

Molecular Formula

C22H26N2O3

Molecular Weight

366.5 g/mol

Controlled

Chemical Information

CID 137796382

CAS Number	1467083-10-8
PubChem CID	137796382
IUPAC Name	22-amino-16,20-dimethyl-4-oxa-14-azahexacyclo[15.4.1.02,7.08,21.012,20.014,19]docosa-1(22),2(7),8(21)-triene-3,9-dione
Molecular Formula	C22H26N2O3
Molecular Weight	366.5
XLogP	0.7
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	911

SMILES

CC1CN2CC3CCC(=O)C4=C5C3(C2CC1C(=C5C6=C4CCOC6=O)N)C

InChI

InChI=1S/C22H26N2O3/c1-10-8-24-9-11-3-4-14(25)16-12-5-6-27-21(26)17(12)18-19(16)22(11,2)15(24)7-13(10)20(18)23/h10-11,13,15H,3-9,23H2,1-2H3

InChIKey

CSQMGFDYNRLDNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1467083-10-8

CID: 137796382

Formula: C22H26N2O3

MW: 366.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.5
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	366.19434270
Monoisotopic Mass	366.19434270
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	911
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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