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132796-57-7 | 2,6-Naphthalenediol, decahydro-5-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-1,1,4a,6-tetramethyl-, (2S,4aS,5R,6R,8aR)-
CAS No: 132796-57-7 Catalog No: AG001178 MDL No:
Product Description
Catalog Number:
AG001178
Chemical Name:
2,6-Naphthalenediol, decahydro-5-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-1,1,4a,6-tetramethyl-, (2S,4aS,5R,6R,8aR)-
CAS Number:
132796-57-7
Molecular Formula:
C20H36O3
Molecular Weight:
324.4980
IUPAC Name:
(1R,2R,4aR,6S,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol
InChI:
InChI=1S/C20H36O3/c1-7-18(4,22)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19-,20+/m0/s1
InChI Key:
GHXNUBMJNAHZRP-CJEFFJQMSA-N
SMILES:
C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)(O)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
324.266g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.505g/mol
Monoisotopic Mass:
324.266g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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