Yunnancoronarin A

CAT: 0931-TN5274-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN5274-01Size:1 mg

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CAS Number

162762-93-8

Target

Others

Related Pathways

Others

Bioactivity

Yunnancoronarin A shows cytotoxicity against the lung adenocarcinoma cells A549 and leukemia cells K562, with the IC (50) value of 2.20 microM.

Smiles

C[C@@]12[C@](C(C)(C)CCC1)([C@H](O)CC(=C)[C@@H]2/C=C/C=3C=COC3)[H]

Molecular Formula

C20H28O2

Molecular Weight

300.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Yunnacoronarin A

(1R,4S,4aR,8aS)-4-[(1E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-hexahydro-1H-naphthalen-1-ol has been reported in Hedychium forrestii, Hedychium gardnerianum, and Hedychium spicatum with data available.

CAS Number	162762-93-8
PubChem CID	12187319
IUPAC Name	(1R,4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
Molecular Formula	C20H28O2
Molecular Weight	300.4
XLogP	5
Topological Polar Surface Area	33.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	464

SMILES

C[C@]12CCCC([C@@H]1[C@@H](CC(=C)[C@@H]2/C=C/C3=COC=C3)O)(C)C

InChI

InChI=1S/C20H28O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17+,18-,20+/m0/s1

InChIKey

UTIGHTZWXIGRIJ-JEQJTPLUSA-N

Chemical Structure

2D Structure

CAS: 162762-93-8

CID: 12187319

Formula: C20H28O2

MW: 300.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	300.208930132
Monoisotopic Mass	300.208930132
Topological Polar Surface Area	33.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5787404	Yunnancoronarin A

Yunnancoronarin A

Chemical Information

Alternative Products

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