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42422-68-4

42422-68-4 structural image
Product Name: BETA-ZEARALANOL
Formula: C18H26O5
Synonyms: (3S,7S)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one solution;2,4-Dihydroxy-6-(6β,10-dihydroxyundecyl)benzoic acid μ-lactone solution;2,4-Dihydroxy-6-(6β,10-dihydroxyundecyl]benzoic acid μ-lactone
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 180.34 Ų [M+Na]+ 175.33 Ų [M+H-H2O]+

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Health Hazard
GHS08
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P201:Obtain special instructions before use.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 322.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 322.17802393 g/mol
Monoisotopic Mass 322.17802393 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 372
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beta-Zearalanol is a macrolide.