| SpectraBase Compound ID | CnbPVfnAmep |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h11,19,21-23,25,32-33H,9-10,12-18H2,1-8H3/b20-11-/t19?,21-,22-,23-,25?,28-,29-,30+/m1/s1 |
| InChIKey | VMQJMMQIBHGNCM-VZVREAGPSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KwVrOSvNY0M |
|---|---|
| Name | Sipholenone D |
| Alternate Name(s) | (5aR,6R,7S)-6-[(2Z)-2-((1R,3aR,8aR)-1-hydroxy-1,4,4,6-tetramethyloctahydro-5(1H)-azulenylidene)ethyl]-7-hydroxy-2,2,5a,7-tetramethyloctahydro-1-benzoxepin-3(2H)-one (5aR,6R,7S)-6-[(2Z)-2-[(1R,3aR,8aR)-1,4,4,6-tetramethyl-1-oxidanyl-3,3a,6,7,8,8a-hexahydro-2H-azulen-5-ylidene]ethyl]-2,2,5a,7-tetramethyl-7-oxidanyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h11,19,21-23,25,32-33H,9-10,12-18H2,1-8H3/b20-11-/t19?,21-,22-,23-,25?,28-,29-,30+/m1/s1 |
| InChIKey | VMQJMMQIBHGNCM-VZVREAGPSA-N |
| Molecular Weight | 474.726 g/mol |
| SMILES | O[C@]1(CCC2[C@@]([C@]1(C\C=C/1C([C@]3([C@]([C@@](CC3)(O)C)(CCC1C)[H])[H])(C)C)[H])(CCC(C(O2)(C)C)=O)C)C |
| SPLASH | splash10-0il0-0090400000-7c7b4af6658af4912564 |
| Source of Spectrum | G4-64-179-2 |
| Wiley ID | 1608767 |