Microhelenin C

CAT: 0931-TN1932-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1932-02Size:5 mg

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CAS Number

63569-07-3

Target

Others

Related Pathways

Others

Purity

0.9535

Bioactivity

Microhelenin C has significant antileukemic activity.

Smiles

[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C(\C)=C\C)[C@]1([H])[C@H](C)C(=O)O2

Molecular Formula

C20H26O5

Molecular Weight

346.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

11,13-Dihydrohelenalin tiglate

Microhelenin C is a sesquiterpene lactone.

CAS Number	63569-07-3
PubChem CID	5281483
IUPAC Name	[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate
Molecular Formula	C20H26O5
Molecular Weight	346.4
XLogP	2.3
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	676

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C

InChI

InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6+/t11-,12+,13+,14-,16-,17+,20+/m1/s1

InChIKey

KUPPZVXLWANEJJ-YFVRYKHXSA-N

Chemical Structure

2D Structure

CAS: 63569-07-3

CID: 5281483

Formula: C20H26O5

MW: 346.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	346.4
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	346.17802393
Monoisotopic Mass	346.17802393
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	676
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
NCA56907-01	Microhelenin C

Microhelenin C

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