Leucomisine

CAT: 0926-FL180377-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-FL180377-02Size:1 mg

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CAS Number

17946-87-1

Smiles

C[C@H]1[C@@H]2CCC (C) =C3[C@H] (C (C) =CC3=O) [C@H]2OC1=O

Molecular Formula

C15H18O3

Molecular Weight

246.3 g/mol

Controlled

Chemical Information

Leukomisin

Desacetoxymatricarin is a sesquiterpene lactone.

CAS Number	17946-87-1
PubChem CID	167683
IUPAC Name	(3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Molecular Formula	C15H18O3
Molecular Weight	246.30
XLogP	1.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	498

SMILES

C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C

InChI

InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1

InChIKey

BJPSSVHNEGMBDQ-NUZBWSBOSA-N

Chemical Structure

2D Structure

CAS: 17946-87-1

CID: 167683

Formula: C15H18O3

MW: 246.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.30
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	246.125594432
Monoisotopic Mass	246.125594432
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	498
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-300915	Leucomisine