Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 21-Norchol-5-en-24-oicacid, 3b,23-dihydroxy-20-oxo-, methylester (8CI)
20077-87-6 structure

21-Norchol-5-en-24-oicacid, 3b,23-dihydroxy-20-oxo-, methylester (8CI)

Iupac Name:1-(2-methyl-1,3-benzothiazol-5-yl)ethanol
CAS No.:20077-87-6
EINECS(EC#): 200-584-9
Molecular Weight:193.264
Molecular Formula:C13H23NO3S (isomer)
Names and Identifiers
Synonyms

2-hydroxy-4-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoic acid methyl ester A818445 AC1L6LZE AC1Q5YVQ methyl 2-hydroxy-4-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) methyl 2-hydroxy-4-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate methyl 4-[(3s,8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-4-oxidanylidene-butanoate nsc64941 nsc-64941 PL031164

Inchi
InChI=1S/C10H11NOS/c1-6(12)8-3-4-10-9(5-8)11-7(2)13-10/h3-6,12H,1-2H3
InChkey
VPTKWRFYAYTYDL-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(S1)C=CC(=C2)C(C)O
Properties
Density
1.15
Boiling Point
477.5°C at 760 mmHg
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:193.264g/mol
  • Molecular Formula:C13H23NO3S
  • Compound Is Canonicalized:True
  • Exact Mass:193.056
  • Monoisotopic Mass:193.056
  • Complexity:188
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.4A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgQACAAADByh3gIywbIIEgik AyRiRACD8KBhCjhImDwwbJgINqLgkZGEcAhkwAHo2AewwKAOEAAAQAAAAQAgAACAAAACAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<