Lipiferolide

CAT: 0926-RBA05980-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA05980-01Size:5 mg

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CAS Number

41059-80-7

MDL Number

MFCD17214863

Smiles

CC1=CCCC2 (C (O2) C3C (C (C1) OC (=O) C) C (=C) C (=O) O3) C

Molecular Formula

C17H22O5

Molecular Weight

306.4 g/mol

Controlled

Chemical Information

[(1S,2S,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate

CID 13895602 has been reported in Pentanema divaricatum and Liriodendron tulipifera with data available.

CAS Number	41059-80-7
PubChem CID	13895602
IUPAC Name	[(1S,2S,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate
Molecular Formula	C17H22O5
Molecular Weight	306.4
XLogP	1.9
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	563

SMILES

C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H]([C@@H](C1)OC(=O)C)C(=C)C(=O)O3)C

InChI

InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15+,17-/m1/s1

InChIKey

ODYJJNFWFYUXSS-SOZNHUOKSA-N

Chemical Structure

2D Structure

CAS: 41059-80-7

CID: 13895602

Formula: C17H22O5

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	306.14672380
Monoisotopic Mass	306.14672380
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
380701	Lipiferolide