![4-[(2'-Methylene-5'-hydroxycyclohexylidene)ethylidene]-1-[1",5"-dimethyl-5"-hydroxy-4"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane](/api/spectrum/9teJ37Vc5Ek/structure.png?h=300&w=458 "4-[(2'-Methylene-5'-hydroxycyclohexylidene)ethylidene]-1-[1\",5\"-dimethyl-5\"-hydroxy-4\"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane")
| SpectraBase Compound ID | 7sBv1X9MbJk |
|---|---|
| InChI | InChI=1S/C34H49NO3/c1-23-13-17-28(36)22-27(23)16-15-25-12-9-21-34(5)29(18-19-30(25)34)24(2)14-20-31(33(3,4)38)35-32(37)26-10-7-6-8-11-26/h6-8,10-11,15-16,24,28-31,36,38H,1,9,12-14,17-22H2,2-5H3,(H,35,37)/b25-15+,27-16-/t24-,28+,29-,30+,31+,34-/m1/s1 |
| InChIKey | WTPAZHZBZQNSLF-HFUYPXOISA-N |
| Mol Weight | 519.8 g/mol |
| Molecular Formula | C34H49NO3 |
| Exact Mass | 519.371244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9teJ37Vc5Ek |
|---|---|
| Name | 4-[(2'-Methylene-5'-hydroxycyclohexylidene)ethylidene]-1-[1",5"-dimethyl-5"-hydroxy-4"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H49NO3 |
| InChI | InChI=1S/C34H49NO3/c1-23-13-17-28(36)22-27(23)16-15-25-12-9-21-34(5)29(18-19-30(25)34)24(2)14-20-31(33(3,4)38)35-32(37)26-10-7-6-8-11-26/h6-8,10-11,15-16,24,28-31,36,38H,1,9,12-14,17-22H2,2-5H3,(H,35,37)/b25-15+,27-16-/t24-,28+,29-,30+,31+,34-/m1/s1 |
| InChIKey | WTPAZHZBZQNSLF-HFUYPXOISA-N |
| Molecular Weight | 519.770 g/mol |
| SMILES | O[C@]1(CCC(\C(=C/C=C/2[C@]3([C@@]([C@@]([C@@](CC[C@@](C(O)(C)C)(NC(=O)c4ccccc4)[H])(C)[H])(CC3)[H])(CCC2)C)[H])C1)=C)[H] |
| SPLASH | splash10-0a4i-0900010000-63548b23c28f9c4d73ab |
| Source of Spectrum | D1-2002-722-14 |
| Wiley ID | 1548043 |