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20242-97-1 | Stigmasta-5,22-dien-3-ol, 3-dodecanoate, (3β,22E)-
CAS No: 20242-97-1 Catalog No: AG002885 MDL No:
Product Description
Catalog Number:
AG002885
Chemical Name:
Stigmasta-5,22-dien-3-ol, 3-dodecanoate, (3β,22E)-
CAS Number:
20242-97-1
IUPAC Name:
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
InChI:
InChI=1S/C41H70O2/c1-8-10-11-12-13-14-15-16-17-18-39(42)43-34-25-27-40(6)33(29-34)21-22-35-37-24-23-36(41(37,7)28-26-38(35)40)31(5)19-20-32(9-2)30(3)4/h19-21,30-32,34-38H,8-18,22-29H2,1-7H3
InChI Key:
MNTJXUZCELWCCS-UHFFFAOYSA-N
Properties
Complexity:
930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.538g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
595.009g/mol
Monoisotopic Mass:
594.538g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
1
XLogP3:
14.3
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