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132915-47-0 | 2-Pentenoic acid, 5-(decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-3-methyl-, [1R-[1α,1(E),2α,4aα,8aβ]]- (9CI)
CAS No: 132915-47-0 Catalog No: AG0011E5 MDL No:MFCD17214873
Product Description
Catalog Number:
AG0011E5
Chemical Name:
2-Pentenoic acid, 5-(decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-3-methyl-, [1R-[1α,1(E),2α,4aα,8aβ]]- (9CI)
CAS Number:
132915-47-0
MDL Number:
MFCD17214873
IUPAC Name:
(E)-5-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid
InChI:
InChI=1S/C20H34O3/c1-14(13-17(21)22)9-12-20(23)15(2)7-8-16-18(3,4)10-6-11-19(16,20)5/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16-,19-,20+/m0/s1
InChI Key:
GVGJRMWFFTWASU-MABCWTSKSA-N
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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