Basic information
- CAS
99399-65-2- Standard SMILES
C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H]2C12CO[C@](O)(C(=O)OC)[C@H]2[C@](C)([C@]12O[C@@]1(C)[C@@H]1CC2O[C@@H]2OC=C[C@@]21O)[C@@H]3O- InChIKey
SNNRXIOWEMKFFZ-TXCILVRSSA-N- Molecular formula
- C34H44O14
- Average molar mass
- 676.7 g/mol
- Monoisotopic mass
- 676.27310607
Names & identifiers
- Preferred name
- CID 6443232
- IUPAC
- methyl (4S,5R,6S,7S,8S,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate
- English name
- Azadirachtin D
- Molecular formula
- C34H44O14
- Molecular weight
- 676.71
Names & synonyms
Azadirachtin D99399-65-2Methyl (4S,5R,6S,7S,8S,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5-carboxylic acid, 10-(acetyloxy)decahydro-3,5-dihydroxy-4,10a-dimethyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, methyl ester, (2aS,3S,4S,4a...
Database identifiers
- CAS
99399-65-2- PubChem CID
- 6443232
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,540
Physicochemical properties
- Melting point
- 177 °C · >177°C (dec.)
- Boiling point
- 767.8 · 767.8±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly)
- pka
- 9.98 · 9.98±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Light Sensitive
Chemistry & industry
Applications
UsesAzadirachtin D is a limonoid extracted from neem seeds. It is a potential antibiotic against bacterium X. oryzae.
Suppliers3 total
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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