Products for Research Use Only
RegisterLogin

Buddledin A

CAT: 0013-GTR19277874-03Size: 3 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19277874-03Size:3 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Buddledin A is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
62346-20-7
Smiles
[H][C@]12CC (C) (C) [C@]1 ([H]) [C@@H] (OC (C) =O) C (=O) \C (C) =C\CCC2=C
Molecular Formula
C17H24O3
Molecular Weight
276.38
Notes
For research use only.

Chemical Information

(1R,2R,4E,9S)-2-(Acetyloxy)-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-en-3-one

Buddledin A is a sesquiterpenoid based on a humulane skeleton. It is a sesquiterpenoid, a carbobicyclic compound and an acetate ester. It derives from a hydride of a humulane.

CAS Number62346-20-7
PubChem CID5281514
IUPAC Name[(1R,2R,4E,9S)-4,11,11-trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl] acetate
Molecular FormulaC17H24O3
Molecular Weight276.4
XLogP3.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity484
SMILES
C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2[C@H](C1=O)OC(=O)C)(C)C
InChI
InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1
InChIKey
SXWKLEULMBLXJM-PCRFWOPQSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R,4E,9S)-2-(Acetyloxy)-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-en-3-one
CAS: 62346-20-7
CID: 5281514
Formula: C17H24O3
MW: 276.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.17254462
Monoisotopic Mass276.17254462
Topological Polar Surface Area43.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ1128Buddledin A
TBZ2068Buddledin C
TBZ1129Buddledin B

Popular Products