(-)-Botryodiplodin
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(-)-Botryodiplodin
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CAS No:
27098-03-9
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Formula:
C7H12O3
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Chemical Name:
(-)-Botryodiplodin
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Synonyms:
Ethanone,1-[(3S,4R)-tetrahydro-5-hydroxy-4-methyl-3-furanyl]-;Ketone,methyl tetrahydro-5-hydroxy-4-methyl-3-furyl;1-[(3S,4R)-Tetrahydro-5-hydroxy-4-methyl-3-furanyl]ethanone;Botryodiplodin;(-)-Botryodiplodin;Antibiotic PSX 1;Cytostipin;NSC 114342;NSC 157390;(3R,4S)-Botryodiplodin;52218-59-4;69651-10-1;1610790-91-4
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CAS No:
Characteristics
46.5
-0.2
Solid
1.0789 (rough estimate)
42 °C
249.4ºC at 760mmHg
101.4ºC
1.467
1e+006 mg/L @ 25 °C (est)
Unreported-Mouse LD50: 40 mg/kg
Flammable liquid; thermal decomposition emits spicy irritating smoke
Safety Information
The warehouse is ventilated, low temperature, dry, fireproof, and stored separately from food materials
Computed Properties
Molecular Weight:144.17
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:10
Complexity:144
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes