Carabrone

CAT: 1407-AB1070Size: 20 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1407-AB1070Size:20 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1748-81-8

Purity

98% (HPLC)

Molecular Formula

C15H20O3

Molecular Weight

248.322

Chemical Information

Carabron

Carabrone has been reported in Hymenoxys integrifolia, Inula grandis, and other organisms with data available.

CAS Number	1748-81-8
PubChem CID	164879
IUPAC Name	(3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
Molecular Formula	C15H20O3
Molecular Weight	248.32
XLogP	2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	439

SMILES

CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C

InChI

InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1

InChIKey

AGIQIKMGJVLKMA-NLRWUALESA-N

Chemical Structure

2D Structure

CAS: 1748-81-8

CID: 164879

Formula: C15H20O3

MW: 248.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.32
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.14124450
Monoisotopic Mass	248.14124450
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	439
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

Catalog	Name
TN1114-01	Carabrone