Monohydroxyisoaflavinine
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| Category | Others |
| Catalog number | BBF-04467 |
| CAS | 116865-09-9 |
| Molecular Weight | 421.62 |
| Molecular Formula | C28H39NO2 |
| Purity | ≥98% |
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Description
Monohydroxyisoaflavinine is a metabolite of Aspergillus flavus. It was detected in the sclerotia of A. flavus.
Specification
| Synonyms | 24,25-Dehydro-10,11-dihydro-20-hydroxyaflavinine; 1H-Benzo[d]naphthalene-1,5-diol, dodecahydro-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-(1-methylethenyl)-, (1α,4α,4aα,5β,7α,7aβ,8α,9β,11aR*)-(+)- |
| Storage | Store at -20°C |
| IUPAC Name | (1S,4R,4aS,5R,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol |
| Canonical SMILES | CC1CCC(C23C1(C(CC(C2C(C(CC3)C(=C)C)C4=CNC5=CC=CC=C54)C)O)C)O |
| InChI | InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3/t17-,18-,19+,23+,24-,25-,26+,27-,28+/m1/s1 |
| InChI Key | KHMAONVROPNUDX-PHLGNYFESA-N |
Properties
| Appearance | Powder |
| Boiling Point | 594.3±50.0°C (Predicted) |
| Melting Point | 146-148°C |
| Density | 1.14±0.1 g/cm3 (Predicted) |
| Solubility | Soluble in Methanol |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
