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Cucurbitacin B

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Cucurbitacin B / CAS : 6199-67-3

Appearance white to beige. powder UN 0.0
HS - DG Class 0.0
Synonyms [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro; 25-(Acetyloxy)-2,16,20-Trihydroxy-9-Methyl-19-Norlanosta-5,23-Diene-3,11,22-Tr; Cucurbitacineb
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Properties

Summary

Formula
C32H46O8
Molecular Mass
558.70300
Exact Mass
558.31900
PSA
138.20000
Logp
3.49930
IUPAC
[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SMILES
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Digestive System Drugs

Chemical and Physical Properties

Melting Point
184-186ºC
Density
1.23g/cm3
Boiling Point
699.3ºC at 760 mmHg
Flash Point
218.7ºC
Appearance
white to beige. powder

Export information

UN No.
0.0
DG-Class
0.0
Risk Code
25
Safety Label
T

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