| SpectraBase Spectrum ID |
DzjwUXTWyBS |
| Name |
(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-3,5-dihydroxy-7-phenyl-6-heptenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.277009700 u |
| Formula |
C33H38O4 |
| InChI |
InChI=1S/C33H38O4/c1-32(2)28-18-19-33(32,3)30(27-15-9-13-23-12-7-8-14-26(23)27)31(28)37-29(36)21-25(35)20-24(34)17-16-22-10-5-4-6-11-22/h4-17,24-25,28,30-31,34-35H,18-21H2,1-3H3/b17-16+/t24-,25-,28-,30?,31?,33+/m0/s1 |
| InChIKey |
BNAHOWPRNSGDFW-AZPFSDHVSA-N |
| Molecular Weight |
498.663 g/mol |
| SMILES |
[C@]12(C(C(OC(C[C@](C[C@](\C=C\C=3C=CC=CC3)(O)[H])(O)[H])=O)[C@@](C1(C)C)(CC2)[H])C1=C2C(C=CC=C2)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819793 |
![(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-3,5-dihydroxy-7-phenyl-6-heptenoate](/api/spectrum/DzjwUXTWyBS/structure.png?h=300&w=458 "(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-3,5-dihydroxy-7-phenyl-6-heptenoate")
