| SpectraBase Spectrum ID |
9cCGFExvTNl |
| Name |
(E)-(3R,5S)-3,5-Dihydroxy-7-p-tolyl-hept-6-enoic acid-4,7,7-trimethyl-3-naphthalen-1-yl-bicyclo[2.2.1]hept-2-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H40O4 |
| InChI |
InChI=1S/C34H40O4/c1-22-12-14-23(15-13-22)16-17-25(35)20-26(36)21-30(37)38-32-29-18-19-34(4,33(29,2)3)31(32)28-11-7-9-24-8-5-6-10-27(24)28/h5-17,25-26,29,31-32,35-36H,18-21H2,1-4H3/b17-16+/t25-,26-,29+,31-,32+,34-/m1/s1 |
| InChIKey |
ZZVQSBQWAHAMHJ-NDALYVBDSA-N |
| Molecular Weight |
512.690 g/mol |
| SMILES |
O[C@@](C[C@](CC(O[C@@]1([C@]([C@@]2(C([C@]1(CC2)[H])(C)C)C)(c1c2c(cccc2)ccc1)[H])[H])=O)(O)[H])(\C=C\c1ccc(cc1)C)[H] |
| SPLASH |
splash10-0c04-1930000000-298533ca1ff15f40dc58 |
| Source of Spectrum |
AJ-68-359-14 |
| Synonyms |
(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-3,5-dihydroxy-7-(4-merthylphenyl)-6-heptenoate
4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl (3R,5S,6E)-3,5-dihydroxy-7-(4-methylphenyl)-6-heptenoate
4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3R,5S)-3,5-dihydroxy-7-(4-methylphenyl)-6-heptenoate |
| Wiley ID |
773011 |
![(E)-(3R,5S)-3,5-Dihydroxy-7-p-tolyl-hept-6-enoic acid-4,7,7-trimethyl-3-naphthalen-1-yl-bicyclo[2.2.1]hept-2-yl ester](/api/spectrum/9cCGFExvTNl/structure.png?h=300&w=458 "(E)-(3R,5S)-3,5-Dihydroxy-7-p-tolyl-hept-6-enoic acid-4,7,7-trimethyl-3-naphthalen-1-yl-bicyclo[2.2.1]hept-2-yl ester")
