Senaetnine

CAT: 0926-PCA19169-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-PCA19169-01Size:10 mg

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CAS Number

64191-69-1

Smiles

CC=C1CC (C (C (=O) OCC2=C3C (CC (=O) N3C=C2) OC1=O) (C) OC (=O) C) C

Molecular Formula

C20H23NO7

Molecular Weight

389.4 g/mol

Controlled

Chemical Information

(3Z,5R,6R,14aS)-6-(Acetyloxy)-3-ethylidene-3,4,5,6,14,14a-hexahydro-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7,13(9H)-trione

Senaetnine is a member of pyrrolizines.

CAS Number	64191-69-1
PubChem CID	5281748
IUPAC Name	[(1S,4Z,6R,7R)-4-ethylidene-6,7-dimethyl-3,8,15-trioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl] acetate
Molecular Formula	C20H23NO7
Molecular Weight	389.4
XLogP	1.5
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	730

SMILES

C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@H](CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C

InChI

InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20-/m1/s1

InChIKey

NTGIQQBAUYBEBF-ZCXFZNNUSA-N

Chemical Structure

2D Structure

CAS: 64191-69-1

CID: 5281748

Formula: C20H23NO7

MW: 389.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	389.14745207
Monoisotopic Mass	389.14745207
Topological Polar Surface Area	101 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	730
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5789997	Senaetnine

Senaetnine

Chemical Information

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