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24365-37-5 | (3S,8S,9S,10R,13R,14S,17R);-10,13-Dimethyl-17-((R);-6-methylheptan-2-yl);-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl heptadecanoate
CAS No: 24365-37-5 Catalog No: AG003OVF MDL No:MFCD00056438
Product Description
Catalog Number:
AG003OVF
Chemical Name:
(3S,8S,9S,10R,13R,14S,17R);-10,13-Dimethyl-17-((R);-6-methylheptan-2-yl);-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl heptadecanoate
CAS Number:
24365-37-5
Molecular Formula:
C44H78O2
Molecular Weight:
639.0889
MDL Number:
MFCD00056438
IUPAC Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptadecanoate
InChI:
InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChI Key:
PPQNZVDOBYGOLY-BFGJSWSOSA-N
SMILES:
CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
638.6g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
639.106g/mol
Monoisotopic Mass:
638.6g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17
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