(3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione

• ChemBase ID: 132983
• Molecular Formular: C17H14O7
• Molecular Mass: 330.28886
• Monoisotopic Mass: 330.07395279
• SMILES: COc1cc2c(c3c1c1c(c(=O)o3)C(=O)OCC1)[C@@H]1CCO[C@@H]1O2
• Canonical SMILES: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3
• InChI: InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
• InChIKey: WPCVRWVBBXIRMA-WNWIJWBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0^2,^9.0^3,^7.0^1^3,^1^8]icosa-1,9,11,13(18)-tetraene-17,19-dione
• IUPAC Traditional name: (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0^2,^9.0^3,^7.0^1^3,^1^8]icosa-1,9,11,13(18)-tetraene-17,19-dione
• Synonyms: Aflatoxin G2 solution; Aflatoxin G2; (7aR,10aS)-3,4,7a,9,10,10a-Hexahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione; Dihydroaflatoxin G1; Aflatoxin G2; 黄曲霉素 G2 溶液; 黄曲霉素 G2

Database IDs

• CAS Number: 7241-98-7
• EC Number: 200-835-2; 230-643-4
• MDL Number: MFCD00078141
• Beilstein Number: 1692017
• PubChem SID: 162227260; 24860797; 24890416
• PubChem CID: 2724362

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3562295
• LogD (pH = 7.4): 1.3562295
• Log P: 1.3562295
• Molar Refractivity: 79.7547 cm^3
• Polarizability: 31.11597 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: crystalline; White to Off-White Solid
• Melting Point: 226-229°C
• Flash Point: 2 °C; 35.6 °F

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• European Hazard Symbols: Flammable (F); Highly toxic (T+); Harmful (Xn)
• UN Number: 1648; 3462
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2
• Risk Statements: 11-20/21/22-36; 45-26/27/28
• Safety Statements: 16-36/37; 53-28-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332; H300-H310-H330-H350
• GHS Precautionary statements: P201-P260-P264-P280-P284-P301 + P310; P201-P260-P264-P280-P284-P302 + P350; P210-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1648 3/PG 2; UN 3462 6.1/PG 1
• Storage Temperature: -20°C; 2-8°C

Product Information

• Concentration: 0.5 μg/mL in acetonitrile; 3.80 μg/g in acetonitrile
• Grade: analytical standard, for environmental analysis; BCR® certified Reference Material
• Empirical Formula (Hill Notation): C17H14O7

DETAILS

Sigma Aldrich - A0263

Biochem/physiol Actions
Hepatocarcinogen. Food contaminant produced by Aspergillus flavus, a common soil fungus.
Warning
可能致癌。

Sigma Aldrich - 856231

Warning
Possibly carcinogenic.

Sigma Aldrich - 34033

General description
Certan Vial

Sigma Aldrich - ERMAC060

Legal Information
BCR is a registered trademark of European Commission

Sigma Aldrich - 32757

Warning
Possibly carcinogenic.

Toronto Research Chemicals - A357485

Aflatoxins B1, B2, G1, G2 as secondary metabolites of fungal species such as Aspergillus flavus or Aspergillus parasiticus growing on a variety of foods (peanuts, nuts, spices, cereals). Aflatoxins are a group of very carcinogenic mycotoxins with hepatot

REFERENCES

• Cifford, R., et al.: Nature, 209, 312 (1966)
• Wogan, et al.: Food Cosmet. Toxicol., 12, 681 (1966)
• Sinz, M.W., et al.: J. Toxicol. Toxin Rev., 10, 87 (1966)
• Shantha, T., et al.: Nat. Toxins, 7, 175 (1966)
• Kim, J., et al.: J. Food Prod., 63, 1295 (2000)