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10190-93-9 | Acetic acid, 2-[[[(17β)-17-hydroxyandrost-4-en-3-ylidene]amino]oxy]-
CAS No: 10190-93-9 Catalog No: AG0005VU MDL No:
Product Description
Catalog Number:
AG0005VU
Chemical Name:
Acetic acid, 2-[[[(17β)-17-hydroxyandrost-4-en-3-ylidene]amino]oxy]-
CAS Number:
10190-93-9
Molecular Formula:
C21H31NO4
Molecular Weight:
361.4751
IUPAC Name:
2-[[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
InChI:
InChI=1S/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/t15-,16-,17-,18-,20-,21-/m0/s1
InChI Key:
VDYLVWGBLQNNAW-ZKHIMWLXSA-N
SMILES:
OC(=O)CON=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
UNII:
MYP9048V7W
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
361.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.482g/mol
Monoisotopic Mass:
361.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Antigen heterologous enzyme linked immunosorbent assay for the measurement of DHEA in serum. | Journal of immunoassay & immunochemistry 20110101 |
| Elevated plasma corticosterone decreases yolk testosterone and progesterone in chickens: linking maternal stress and hormone-mediated maternal effects. | PloS one 20110101 |
| Functional membrane androgen receptors in colon tumors trigger pro-apoptotic responses in vitro and reduce drastically tumor incidence in vivo. | Molecular cancer 20090101 |
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