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BETA-ZEARALANOL

CAS 42422-68-4C18H26O5MW 322.4

BETA-ZEARALANOL (CAS 42422-68-4) — formula C18H26O5, molecular weight 322.4; category organic chemicals.

Product Overview

CAS Number42422-68-4
Molecular FormulaC18H26O5
Molecular Weight322.4
LogP4.3
ApplicationsUses: Zeranol is a mycotoxin derived from fungi in the Fusarium family, and may be found as a contaminant in fungus-infected crops. (L1954)
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Zeranol is a mycotoxin derived from fungi in the Fusarium family, and may be found as a contaminant in fungus-infected crops. (L1954).

Technical Profile

What this product is

BETA-ZEARALANOL is a carbon-based organic compound with CAS registry number 42422-68-4 and molecular formula C18H26O5 (molecular weight 322.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 42422-68-4

Its molecular formula C18H26O5 comprises 18 C, 26 H, 5 O atoms.

Also known as: BETA-ZEARALANOL · β-玉米赤霉醇

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of BETA-ZEARALANOL?

The CAS registry number of BETA-ZEARALANOL is 42422-68-4.

What is the molecular formula and molecular weight of BETA-ZEARALANOL?

Molecular formula C18H26O5, molecular weight 322.4.

What other names is BETA-ZEARALANOL known by?

It is also registered under: BETA-ZEARALANOL, β-玉米赤霉醇.

What are the documented applications of BETA-ZEARALANOL?

Recorded applications: Uses: Zeranol is a mycotoxin derived from fungi in the Fusarium family, and may be found as a contaminant in fungus-infected crops. (L1954).

Which category does BETA-ZEARALANOL belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for BETA-ZEARALANOL (CAS 42422-68-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号42422-68-4
PubChem CID65434
分子式C18H26O5
IUPAC 名称(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
UNII(FDA)HUN219N434

Computed descriptors

Molecular Weight322.4
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass322.17802393
Monoisotopic Mass322.17802393
Topological Polar Surface Area87
Heavy Atom Count23

Physicochemical values on record

Collision Cross Section180.34 Ų [M+Na]+
Collision Cross Section175.33 Ų [M+H-H2O]+

Synonyms and trade names

beta-Zearalanol; Taleranol; 42422-68-4; Taleranolum; P-1560; DTXSID3022532; HUN219N434; estrogen P-1560; RefChem:890786; DTXCID902532; (7S,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo(12.4.0)octadeca-1(14),15,17-trien-13-one; beta zearalanol; b-Zeranol; CHEMBL491510; (3S,7S)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one; (3S,7S)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

GHS hazard classification

已通报的危害声明H315 (97.5%), H319 (97.5%), H335 (97.5%), H360 (97.5%)

What the public record says

β-玉米赤霉醇 · CAS 42422-68-4 · C18H26O5. UNII HUN219N434. Collision Cross Section: 180.34 Ų [M+Na]+; Collision Cross Section: 175.33 Ų [M+H-H2O]+.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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