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30915-20-9 | Androsta-1,4-dien-3-one, 11,17-dihydroxy-, (11α,17β)-
CAS No: 30915-20-9 Catalog No: AG0031N1 MDL No:
Product Description
Catalog Number:
AG0031N1
Chemical Name:
Androsta-1,4-dien-3-one, 11,17-dihydroxy-, (11α,17β)-
CAS Number:
30915-20-9
Molecular Formula:
C19H26O3
Molecular Weight:
302.4079
IUPAC Name:
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1
InChI Key:
XBDIPICFPCBNBB-RUOITVIXSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@H]1CC[C@@H]2O)C)C
UNII:
X618L115Y2
NSC Number:
49004
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
302.188g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.414g/mol
Monoisotopic Mass:
302.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microbial transformation of (+)-androsta-1 ,4-diene-3,17-dione by Cephalosporium aphidicola. | Natural product letters 20021201 |
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