Yatein

Category	Herpes simplex Virus (HSV)
CAS	40456-50-6
Description	Yatein isolated from the leaves of Chamaecyparis obtusa. It can significantly suppress HSV-1 multiplication in HeLa cells without apparent cytotoxicity.

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Synonyms	(3R)-3α-(3,4,5-Trimethoxybenzyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
IUPAC Name	(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Molecular Weight	400.4
Molecular Formula	C22H24O7
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4
InChI	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKey	GMLDZDDTZKXJLU-JKSUJKDBSA-N
Boiling Point	564.9±45.0 °C at 760 mmHg
Flash Point	246.2±28.8 °C
Purity	96.5%
Density	1.3±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Powder
Application	anti-platelet aggregation;
Storage	Store at -20°C
Complexity	541
Exact Mass	400.15220310
Index Of Refraction	1.577
PSA	72.45000
Target	HSV; Apoptosis
Vapor Pressure	0.0±1.5 mmHg at 25°C
XLogP3-AA	3.8