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898285-82-0 | 3-Etiocholanol (4CI)
CAS No: 898285-82-0 Catalog No: AG003XMD MDL No:
Product Description
Catalog Number:
AG003XMD
Chemical Name:
3-Etiocholanol (4CI)
CAS Number:
898285-82-0
Molecular Formula:
C19H32O
Molecular Weight:
276.4568
IUPAC Name:
(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14?,15+,16+,17+,18+,19+/m1/s1
InChI Key:
DJTOLSNIKJIDFF-CYYKUEATSA-N
SMILES:
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2)C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
276.245g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.464g/mol
Monoisotopic Mass:
276.245g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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