Isogermafurenolide

CAT: 1407-AB3233Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1407-AB3233Size:10 mg

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CAS Number

20267-89-4

Purity

98% (HPLC)

Molecular Formula

C15H20O2

Molecular Weight

232.32

Chemical Information

Isogermafurenolide

Isogermafurenolide has been reported in Neolitsea hiiranensis, Lindera pulcherrima var. hemsleyana, and Lindera with data available.

CAS Number	20267-89-4
PubChem CID	14038405
IUPAC Name	(5S,6S,7aS)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
Molecular Formula	C15H20O2
Molecular Weight	232.32
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	430

SMILES

CC1=C2C[C@H]([C@](C[C@@H]2OC1=O)(C)C=C)C(=C)C

InChI

InChI=1S/C15H20O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,12-13H,1-2,7-8H2,3-5H3/t12-,13-,15+/m0/s1

InChIKey

IEOHWPUTLCTSCQ-KCQAQPDRSA-N

Chemical Structure

2D Structure

CAS: 20267-89-4

CID: 14038405

Formula: C15H20O2

MW: 232.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.32
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.146329876
Monoisotopic Mass	232.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
M38972-01	Isogermafurenolide