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13209-61-5 | Androstan-7-one, 3,17-bis(acetyloxy)-, (3β,5α,17β)- (9CI)
CAS No: 13209-61-5 Catalog No: AG00106Z MDL No:
Product Description
Catalog Number:
AG00106Z
Chemical Name:
Androstan-7-one, 3,17-bis(acetyloxy)-, (3β,5α,17β)- (9CI)
CAS Number:
13209-61-5
Molecular Formula:
C23H34O5
Molecular Weight:
390.5131
IUPAC Name:
(17-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C23H34O5/c1-13(24)27-16-7-9-22(3)15(11-16)12-19(26)21-17-5-6-20(28-14(2)25)23(17,4)10-8-18(21)22/h15-18,20-21H,5-12H2,1-4H3
InChI Key:
ICLVBZVECAGRBZ-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC(=O)[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)C
NSC Number:
119655
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.52g/mol
Monoisotopic Mass:
390.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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