3877-86-9

Name CUCURBITACIN D
CAS 3877-86-9
Molecular Formula C30H44O7
MDL Number MFCD01711333
Molecular Weight 516.67
MOL File 3877-86-9.mol
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Chemical Properties

Melting point  151.5°C
Boiling point  521.47°C (rough estimate)
density  1.0814 (rough estimate)
refractive index  1.5820 (estimate)
storage temp.  4°C, protect from light
solubility  Soluble in ethanol and methan
form  powder
pka 12.66±0.29(Predicted)
color  White
InChIKey SRPHMISUTWFFKJ-VZBBWSTBNA-N
SMILES [C@@]12(C)C[C@@H](O)[C@]([H])([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C[C@@H](C(=O)C(C)(C)C3=CCC21)O |&1:0,3,5,7,18,23,25,28,r|
LogP 1.480 (est)
CAS DataBase Reference 3877-86-9

Safety Data

Hazard Codes  Xi
HS Code  29144000
Toxicity
LD50 oral in rat: 8200ug/kg

Hazard Information

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