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19833-13-7 | Olean-12-ene-3,28-diol, 3-hexadecanoate, (3β)-
CAS No: 19833-13-7 Catalog No: AG002BFK MDL No:MFCD20260592
Product Description
Catalog Number:
AG002BFK
Chemical Name:
Olean-12-ene-3,28-diol, 3-hexadecanoate, (3β)-
CAS Number:
19833-13-7
MDL Number:
MFCD20260592
IUPAC Name:
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
InChI:
InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-26-27-43(6)37(42(39,4)5)25-28-45(8)38(43)24-23-35-36-33-41(2,3)29-31-46(36,34-47)32-30-44(35,45)7/h23,36-39,47H,9-22,24-34H2,1-8H3/t36-,37-,38+,39-,43-,44+,45+,46+/m0/s1
InChI Key:
ZOXWEJMCUKRYDD-XCNRMXNJSA-N
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
680.611g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
681.143g/mol
Monoisotopic Mass:
680.611g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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