Bakkenolide A 10mg

CAT: 0628-A24064-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A24064-10Size:10 mg

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CAS Number

19906-72-0

Chemical Information

(+)-Bakkenolide A

Bakkenolide A is a sesquiterpenoid.

CAS Number	19906-72-0
PubChem CID	442173
IUPAC Name	(2R,3aR,7S,7aR)-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-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	386

SMILES

C[C@H]1CCC[C@H]2[C@@]1(C[C@]3(C2)C(=C)COC3=O)C

InChI

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

InChIKey

OVXAYHNZXBOVPV-QMGNLALYSA-N

Chemical Structure

2D Structure

CAS: 19906-72-0

CID: 442173

Formula: C15H22O2

MW: 234.33

Interactive 3D Structure

Loading 3D structure...

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	386
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