Dihydroisoalantolactone

CAT: 0931-T31471Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T31471Size:25 mg

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CAS Number

1856-58-2

Bioactivity

Dihydroisoalantolactone is found in herbs and spices. Dihydroisoalantolactone is isolated from roots of Inula helenium (elecampane) . This compound Aliphatic heteropolycyclic, belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5- (pentan-2-yl) -1-benzofuran-2-one derivative) skeleton.

Smiles

C[C@]12[C@@](C[C@]3([C@@](C1)(OC(=O)[C@H]3C)[H])[H])(C(=C)CCC2)[H]

Molecular Formula

C15H22O2

Molecular Weight

234.33

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dihydroisoalantolactone

Dihydroisoalantolactone is a sesquiterpene lactone.

CAS Number	1856-58-2
PubChem CID	6451323
IUPAC Name	(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Molecular Formula	C15H22O2
Molecular Weight	234.33
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	373

SMILES

C[C@H]1[C@H]2C[C@H]3C(=C)CCC[C@@]3(C[C@H]2OC1=O)C

InChI

InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-,13+,15+/m0/s1

InChIKey

YYJRTJYCOMIDIC-GGAZOKNXSA-N

Chemical Structure

2D Structure

CAS: 1856-58-2

CID: 6451323

Formula: C15H22O2

MW: 234.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	234.33
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	234.161979940
Monoisotopic Mass	234.161979940
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5781079	Dihydroisoalantolactone

Dihydroisoalantolactone

Chemical Information

Alternative Products

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