Basic information
- CAS
69363-14-0- Standard SMILES
COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)C(C)C2- InChIKey
FYSHYFPJBONYCQ-UHFFFAOYSA-N- Molecular formula
- C23H30O6
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.20423867
Overview
gomisin K3 has been reported in Schisandra sphenanthera and Schisandra chinensis with data available.
Names & identifiers
- Preferred name
- 4,5,14,15,16-Pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
- IUPAC
- 4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
- English name
- schisanhenol
- Molecular formula
- C23H30O6
- Molecular weight
- 402.48
Names & synonyms
Schisanhenol [M+H]+CHEMBL520939orb1221870SCHEMBL29538144SCHEMBL31456894HMS3350B04(6S,7R)-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-ols9231CCG-2686724,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol4,5,14,15,16-pentamethoxy-9,10-dimethyl-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-olGomisin K3
Show more names
schisanhenolSchisanhenol-RMSchisanhenol (Standard)Schisanhenol (SchizanhenolSchisanhenol/(+)-Gomisin K3Schisandra chinensis phenolSchisanhenol, 10 mM in DMSO(6S,7R)-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetra...5,6,7,8-Tetrahydro-1-acetoxy-2,3,10,11,12-pentaMethoxy-6α,7α-diMethyldiben
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 563.9 · 563.9±50.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in chloroform and DMSO
- pka
- 8.96 · 8.96±0.60(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/s3
- InChIKey
- FYSHYFPJBONYCQ-JNEKIBDFNA-N
- SMILES
- C12=CC(OC)=C(OC)C(O)=C1C1=C(OC)C(OC)=C(OC)C=C1C[C@@H](C)[C@@H](C)C2 |&1:24,26,r|
- CAS DataBase Reference
- 69363 · 69363-14-0
- FDA UNII
- 80 Y5907NIW · 80Y5907NIW
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2909.30.6000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSchisanhenol not only has central inhibitory effect, but also has anticonvulsant effect, and has the characteristics of tranquilizer. Another anti-virus, anti-aging, reduce transaminase, improve myocardial nutrition and other effects.
Suppliers100 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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