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Home > Other Building Blocks > 137038-14-3
137038-14-3 | Ergostane-3,24-diol, (24ξ)- (9CI)
CAS No: 137038-14-3 Catalog No: AG0012R1 MDL No:
Product Description
Catalog Number:
AG0012R1
Chemical Name:
Ergostane-3,24-diol, (24ξ)- (9CI)
CAS Number:
137038-14-3
Molecular Formula:
C28H50O2
Molecular Weight:
418.6954
IUPAC Name:
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C28H50O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h18-25,29-30H,7-17H2,1-6H3/t19-,20?,21?,22+,23-,24+,25+,26+,27-,28-/m1/s1
InChI Key:
QTYRSLSHIKUSBP-LFOSBBPJSA-N
SMILES:
OC1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(C(C)C)(O)C)C)C)C
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
418.381g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.706g/mol
Monoisotopic Mass:
418.381g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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