Cucurbitacin Q1 [99530-82-2]

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Identification

Name

Cucurbitacin Q1

Synonyms

[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

Molecular Structure

CAS # 99530-82-2, Cucurbitacin Q1, [(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

Molecular Weight

560.72

CAS Registry Number

99530-82-2

SMILES

CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O

Properties

Density

1.2±0.1 g/cm³, Calc.^*

Index of Refraction

1.573, Calc.^*

Boiling Point

685.8±55.0 ºC (760 mmHg), Calc.^*

Flash Point

213.0±25.0 ºC, Calc.^*

^*	Calculated using Advanced Chemistry Development (ACD/Labs) Software.

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