| SpectraBase Spectrum ID |
CzIm8ud2nyU |
| Name |
(Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-hydroxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.205241738 u |
| Formula |
C25H27N3O3 |
| InChI |
InChI=1S/C25H27N3O3/c29-23-15-9-13-20-12-7-2-1-3-8-14-22(31-25(30)24(20)23)16-21-18-28(27-26-21)17-19-10-5-4-6-11-19/h2,4-7,9-11,13,15,18,22,29H,1,3,8,12,14,16-17H2/b7-2-/t22-/m1/s1 |
| InChIKey |
BULYLMOSLLBGIL-KQRVUMRMSA-N |
| Molecular Weight |
417.509 g/mol |
| SMILES |
C1(C2=C(O)C=CC=C2C\C=C/CCCC[C@](CC=2N=NN(C2)CC=2C=CC=CC2)(O1)[H])=O |
![(Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-hydroxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one](/api/spectrum/CzIm8ud2nyU/structure.png?h=300&w=458 "(Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-hydroxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one")
