1,3,6,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one | CAS No. 76996-27-5

1,3,6,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

Basic Information

CAS Number

76996-27-5

Molecular Formula

C23H26O7

Molecular Weight

414.45 g/mol

AD

Basic Physical Properties

Physical State

Yellow powder

Melting Point

216-218°C

Density

1.367

Solubility

0.0183 mg/L @ 25 °C (est)

CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C

InChI

InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3

InChIKey

HLOCLVMUASBDDP-UHFFFAOYSA-N

LogP

3.980800000000005

Topological Polar Surface Area

131.36 Ų

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

656

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • GarcinoneC
  • 1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
  • MS-27173
  • F82148
  • CHEBI:175308
  • HY-N6954
  • Garcinone C
  • CHEMBL4440642
  • Garcinone-C
  • 76996-27-5
  • BDBM50509699
  • AKOS032948214
  • 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
  • FT-0686618
  • DTXSID60657670
  • CS-0027744
  • 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methyl-2-buten-1-yl)-
  • garcinone C
  • 1,3,6,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
  • [ "" ]
  • C23H26O7
  • AB3000022
  • N2174
  • W2662
  • A14802
  • 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methy

MDL Number

MFCD28161511

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