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151006-14-3 | 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, [1S-[1α(βS*,δS*),2α,6α,8β(R*),8aα]]-, compd. with 2,4,4-trimethyl-2-pentanamine (1:1) (9CI)
CAS No: 151006-14-3 Catalog No: AG001N08 MDL No:MFCD08063783
Product Description
Catalog Number:
AG001N08
Chemical Name:
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, [1S-[1α(βS*,δS*),2α,6α,8β(R*),8aα]]-, compd. with 2,4,4-trimethyl-2-pentanamine (1:1) (9CI)
CAS Number:
151006-14-3
MDL Number:
MFCD08063783
IUPAC Name:
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;2,4,4-trimethylpentan-2-amine
InChI:
InChI=1S/C23H36O7.C8H19N/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;1-7(2,3)6-8(4,5)9/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);6,9H2,1-5H3/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1
InChI Key:
RKFLVBHCVKWNON-IYNICTALSA-N
UNII:
T17047131H
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
553.398g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
553.781g/mol
Monoisotopic Mass:
553.398g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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