200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 14000-43-2
14000-43-2 | 2'H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-2'-phenyl-, (11β,16α)-
CAS No: 14000-43-2 Catalog No: AG001BY2 MDL No:
Product Description
Catalog Number:
AG001BY2
Chemical Name:
2'H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-2'-phenyl-, (11β,16α)-
CAS Number:
14000-43-2
Molecular Formula:
C30H36N2O3
Molecular Weight:
472.6184
IUPAC Name:
1-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone
InChI:
InChI=1S/C30H36N2O3/c1-17-11-22-24-12-18(2)30(35,19(3)33)29(24,5)15-26(34)27(22)28(4)14-20-16-31-32(25(20)13-23(17)28)21-9-7-6-8-10-21/h6-11,13,16,18,22,24,26-27,34-35H,12,14-15H2,1-5H3/t18-,22+,24+,26+,27-,28+,29+,30+/m1/s1
InChI Key:
JNLRDLXILRYUQT-RCBUNWFXSA-N
SMILES:
O[C@H]1C[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)Cc4cnn(c4C=C1C(=C3)C)c1ccccc1)C[C@H]([C@]2(O)C(=O)C)C
NSC Number:
80997
Properties
Complexity:
969
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
472.273g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.629g/mol
Monoisotopic Mass:
472.273g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.