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10204-66-7 | Androstane-17-carboxylic acid, 3-(acetyloxy)-14-hydroxy-, (3β,5β,14β,17β)- (9CI)
CAS No: 10204-66-7 Catalog No: AG0006GH MDL No:
Product Description
Catalog Number:
AG0006GH
Chemical Name:
Androstane-17-carboxylic acid, 3-(acetyloxy)-14-hydroxy-, (3β,5β,14β,17β)- (9CI)
CAS Number:
10204-66-7
Molecular Formula:
C22H34O5
Molecular Weight:
378.5024
IUPAC Name:
(3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
InChI:
InChI=1S/C22H34O5/c1-13(23)27-15-6-9-20(2)14(12-15)4-5-17-16(20)7-10-21(3)18(19(24)25)8-11-22(17,21)26/h14-18,26H,4-12H2,1-3H3,(H,24,25)/t14-,15+,16+,17-,18-,20+,21-,22+/m1/s1
InChI Key:
DVBRYBUUEALGJL-PRCZZKRQSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C(=O)O)C)C
NSC Number:
88909
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
378.241g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.509g/mol
Monoisotopic Mass:
378.241g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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