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Schisantherin D

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Category Human immunodeficiency Virus (HIV)
CAS 64917-82-4
Description Schisantherin D is isolated from the rattan of Schisandra sphenanthera. Schisantherin D shows good anti-HIV activity with the EC50 value of 0.5 micrograms/mL, and the therapeutic index (TI) value of 110.
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Product Information

Synonyms Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer
IUPAC Name [(11S,12S,13S)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
Molecular Weight 520.53
Molecular Formula C29H28O9
Canonical SMILES CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1(C)O)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
InChI InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1
InChIKey PGEJVRVFUGSAJF-SSEZWIOCSA-N
Purity ≥98% (HPLC)
Solubility Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Appearance Powder
Storage 4°C, sealed storage, away from moisture
* In solvent :
-80°C, 6 months
-20°C, 1 month (sealed storage, away from moisture)
Complexity 848
Exact Mass 520.17333247
PSA 101.91000
Target EC50: 0.5 μg/mL (HIV)
XLogP3-AA 4.9

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