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119302-19-1 | (2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol
CAS No: 119302-19-1 Catalog No: AG000IKX MDL No:MFCD11111417
Product Description
Catalog Number:
AG000IKX
Chemical Name:
(2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol
CAS Number:
119302-19-1
Molecular Formula:
C23H37NO2
Molecular Weight:
359.5454
MDL Number:
MFCD11111417
IUPAC Name:
(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
InChI:
InChI=1S/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1
InChI Key:
OPYVYACKKDTREB-NXECLLCESA-N
SMILES:
O[C@H]1[C@H](C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1O[C@H]1C2)N1CCCC1
EC Number:
601-593-4
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
359.282g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.554g/mol
Monoisotopic Mass:
359.282g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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