Clitorin structure

Clitorin

3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Also Known As: Clitorin|Mauritianin|clitorin [M+H]+|Compound NP-007198|MEGxp0_001432|ACon1_002437|Kaempferol 3-(2G-rhamnosylrobinobioside)|NCI60_013917|3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|Kaempferol 3-O-(2,6-di-O-alpha-L-rhamnopyranosyl)-beta-D-galactopyranoside|B0005-465820|Kaempferol 3-O-(2,6-di-O-.alpha.-L-rhamnopyranosyl)-.beta.- D-galactopyranoside|3-O-[2,6-Di-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyl] kaempferol|Kaempferol 3-O-(2,6-di-O-alpha-L-rhamnopyranosyl)-beta- D-galactopyranoside|3-(4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2,6-bis-O-(6-deoxyhexopyranosyl)hexopyranoside

CAS: 55804-74-5
Molecular Formula C33H40O19
Molecular Weight 740.2164 g/mol
LogP -2.5409
Topological Polar Surface Area 308.12 Ų
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 19
Rotatable Bonds 8
Exact Mass 740.2164
Monoisotopic Mass 740.2164
Heavy Atoms 52
Complexity 1764.666

Chemical Identifiers

CAS Number 55804-74-5
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O

Product Overview

Clitorin (CAS 55804-74-5), with molecular formula C33H40O19 and molecular weight 740.2164 g/mol. IUPAC: 3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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