| SpectraBase Compound ID | FUGRzCSA03Y |
|---|---|
| InChI | InChI=1S/C30H44N6O6/c1-6-18(4)25-30(42)34-24(17(2)3)29(41)33-21(15-20-11-8-7-9-12-20)27(39)32-19(5)26(38)31-16-23(37)36-14-10-13-22(36)28(40)35-25/h7-9,11-12,17-19,21-22,24-25H,6,10,13-16H2,1-5H3,(H,31,38)(H,32,39)(H,33,41)(H,34,42)(H,35,40)/t18?,19-,21-,22-,24-,25-/m0/s1 |
| InChIKey | PAPASISLWQPNNI-VHAUOWJZSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C30H44N6O6 |
| Exact Mass | 584.332233 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5MxXPPa7g9w |
|---|---|
| Name | Cleromyrine I |
| CAS Registry Number | 126594-35-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44N6O6 |
| InChI | InChI=1S/C30H44N6O6/c1-6-18(4)25-30(42)34-24(17(2)3)29(41)33-21(15-20-11-8-7-9-12-20)27(39)32-19(5)26(38)31-16-23(37)36-14-10-13-22(36)28(40)35-25/h7-9,11-12,17-19,21-22,24-25H,6,10,13-16H2,1-5H3,(H,31,38)(H,32,39)(H,33,41)(H,34,42)(H,35,40)/t18?,19-,21-,22-,24-,25-/m0/s1 |
| InChIKey | PAPASISLWQPNNI-VHAUOWJZSA-N |
| Molecular Weight | 584.718 g/mol |
| SMILES | N1[C@](C(N[C@](C(N[C@](C(N[C@](C(NCC(N2[C@](C1=O)(CCC2)[H])=O)=O)(C)[H])=O)(Cc1ccccc1)[H])=O)(C(C)C)[H])=O)(C(CC)C)[H] |
| SPLASH | splash10-0knc-0019540000-f473905cd06e6cb481cf |
| Source of Spectrum | F-45-5851-0 |
| Wiley ID | 1408813 |