| SpectraBase Spectrum ID |
LPOOC0SXoos |
| Name |
Benzeneacetic acid, .alpha.-formyl-4-methoxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-(1.alpha.,2.alpha.,3.alpha.,4.alpha.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.230059506 u |
| Formula |
C30H32O4 |
| InChI |
InChI=1S/C30H32O4/c1-29(2)25-16-17-30(29,3)26(23-11-7-9-19-8-5-6-10-22(19)23)27(25)34-28(32)24(18-31)20-12-14-21(33-4)15-13-20/h5-15,18,24-27H,16-17H2,1-4H3/t24?,25?,26-,27-,30?/m1/s1 |
| InChIKey |
WXHIEHPXIAPZEX-YZMKNWASSA-N |
| Molecular Weight |
456.582 g/mol |
| SMILES |
C12([C@@]([C@](OC(C(C3=CC=C(C=C3)OC)C=O)=O)(C(C1(C)C)CC2)[H])(C1=C2C(C=CC=C2)=CC=C1)[H])C |
![Benzeneacetic acid, .alpha.-formyl-4-methoxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-(1.alpha.,2.alpha.,3.alpha.,4.alpha.)]-](/api/spectrum/LPOOC0SXoos/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-formyl-4-methoxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-(1.alpha.,2.alpha.,3.alpha.,4.alpha.)]-")
