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1422506-49-7 | 6,10-Imino-5H-cyclooct[b]indole-8-ethanol, β-ethylidene-6,7,8,9,10,11-hexahydro-2-hydroxy-9-(hydroxymethyl)-12-methyl-, (βE,6S,8R,9S,10S)-
CAS No: 1422506-49-7 Catalog No: AG001I25 MDL No:
Product Description
Catalog Number:
AG001I25
Chemical Name:
6,10-Imino-5H-cyclooct[b]indole-8-ethanol, β-ethylidene-6,7,8,9,10,11-hexahydro-2-hydroxy-9-(hydroxymethyl)-12-methyl-, (βE,6S,8R,9S,10S)-
CAS Number:
1422506-49-7
IUPAC Name:
(1S,12S,13S,14R)-14-[(E)-1-hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
InChI:
InChI=1S/C20H26N2O3/c1-3-11(9-23)13-7-19-20-15(8-18(22(19)2)16(13)10-24)14-6-12(25)4-5-17(14)21-20/h3-6,13,16,18-19,21,23-25H,7-10H2,1-2H3/b11-3-/t13-,16-,18-,19-/m0/s1
InChI Key:
MVGDPTFDPKCFEM-BKRWUIHZSA-N
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
342.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.439g/mol
Monoisotopic Mass:
342.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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