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Home > Aldehydes > 123715-80-0
123715-80-0 | Estra-1,3,5(10)-triene-2-carboxaldehyde, 3,17-bis(methoxymethoxy)-, (17β)-
CAS No: 123715-80-0 Catalog No: AG000KZM MDL No:
Product Description
Catalog Number:
AG000KZM
Chemical Name:
Estra-1,3,5(10)-triene-2-carboxaldehyde, 3,17-bis(methoxymethoxy)-, (17β)-
CAS Number:
123715-80-0
Molecular Formula:
C23H32O5
Molecular Weight:
388.4972
IUPAC Name:
(8R,9S,13S,14S,17S)-3,17-bis(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carbaldehyde
InChI:
InChI=1S/C23H32O5/c1-23-9-8-17-18(20(23)6-7-22(23)28-14-26-3)5-4-15-11-21(27-13-25-2)16(12-24)10-19(15)17/h10-12,17-18,20,22H,4-9,13-14H2,1-3H3/t17-,18+,20-,22-,23-/m0/s1
InChI Key:
PGRCGHQMTWFDPC-PAHONEIHSA-N
SMILES:
COCO[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(C=O)c(c2)OCOC
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
388.225g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.504g/mol
Monoisotopic Mass:
388.225g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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