Epitulipinolide

CAT: 0926-ZAA16413-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-ZAA16413-01Size:5 mg

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CAS Number

24164-13-4

MDL Number

MFCD17214854

Smiles

CC1=CC2C (C (CC (=CCC1) C) OC (=O) C) C (=C) C (=O) O2

Molecular Formula

C17H22O4

Molecular Weight

290.4 g/mol

Controlled

Chemical Information

(3aR,4R,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca(b)furan-2(3H)-one

Epi-tulipinolide is a germacranolide with formula C17H22O4, originally isolated from Liriodendron tulipifera. It exhibits anti-cancer and anti-oxidant properties. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is an acetate ester and a germacranolide.

CAS Number	24164-13-4
PubChem CID	5281505
IUPAC Name	[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
Molecular Formula	C17H22O4
Molecular Weight	290.4
XLogP	2.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	527

SMILES

C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)C)C(=C)C(=O)O2

InChI

InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15-,16-/m1/s1

InChIKey

UPNVKIZABMRHNR-PWCAFIOLSA-N

Chemical Structure

2D Structure

CAS: 24164-13-4

CID: 5281505

Formula: C17H22O4

MW: 290.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	290.4
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	290.15180918
Monoisotopic Mass	290.15180918
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	527
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5790714	Epitulipinolide
HY-N3838-01	Epitulipinolide diepoxide

Epitulipinolide

Chemical Information

Alternative Products

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