| SpectraBase Spectrum ID |
2DApUsMuIxE |
| Name |
1-naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-.beta.-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [[4aS-[1(R*),4a.alpha.,8a.beta.]]- |
| Alternate Name(s) |
Methyl 5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-hydroxy-3-methylpentanoate |
| CAS Registry Number |
102505-47-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-15-8-9-17-19(2,3)11-7-12-21(17,5)16(15)10-13-20(4,23)14-18(22)24-6/h17,23H,7-14H2,1-6H3/t17-,20?,21+/m1/s1 |
| InChIKey |
ZQXWUGVUEKEMIB-LYHOZKKVSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
OC(CC(=O)OC)(CCC=1[C@]2([C@@](C(C)(C)CCC2)(CCC1C)[H])C)C |
| SPLASH |
splash10-06dv-4930000000-31894178ac33f676c11d |
| Source of Spectrum |
J-51-2825-7 |
| Wiley ID |
1332726 |
![1-naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-.beta.-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [[4aS-[1(R*),4a.alpha.,8a.beta.]]-](/api/spectrum/2DApUsMuIxE/structure.png?h=300&w=458 "1-naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-.beta.-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [[4aS-[1(R*),4a.alpha.,8a.beta.]]-")
