![(S)-Dihydroxyphomalide [cyclo(Val-(S)-Abu-Hpp-Hmp-(R)-Leu)]](/api/spectrum/EbzlMOV53TB/structure.png?h=300&w=458 "(S)-Dihydroxyphomalide [cyclo(Val-(S)-Abu-Hpp-Hmp-(R)-Leu)]")
| SpectraBase Compound ID | FH6g1Bv41q5 |
|---|---|
| InChI | InChI=1S/C30H45N3O7/c1-8-21-29(37)40-24(16-20-12-10-9-11-13-20)30(38)39-23(15-18(4)5)27(35)32-22(14-17(2)3)26(34)33-25(19(6)7)28(36)31-21/h9-13,17-19,21-25H,8,14-16H2,1-7H3,(H,31,36)(H,32,35)(H,33,34)/t21?,22-,23+,24+,25+/m1/s1 |
| InChIKey | XOWLKBFHZJWWNU-MGRZVDMVSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C30H45N3O7 |
| Exact Mass | 559.325751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EbzlMOV53TB |
|---|---|
| Name | (S)-Dihydroxyphomalide [cyclo(Val-(S)-Abu-Hpp-Hmp-(R)-Leu)] |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H45N3O7 |
| InChI | InChI=1S/C30H45N3O7/c1-8-21-29(37)40-24(16-20-12-10-9-11-13-20)30(38)39-23(15-18(4)5)27(35)32-22(14-17(2)3)26(34)33-25(19(6)7)28(36)31-21/h9-13,17-19,21-25H,8,14-16H2,1-7H3,(H,31,36)(H,32,35)(H,33,34)/t21?,22-,23+,24+,25+/m1/s1 |
| InChIKey | XOWLKBFHZJWWNU-MGRZVDMVSA-N |
| Molecular Weight | 559.704 g/mol |
| SMILES | N1[C@](C(NC(C(O[C@@](Cc2ccccc2)(C(O[C@](C(N[C@@](C1=O)(CC(C)C)[H])=O)(CC(C)C)[H])=O)[H])=O)CC)=O)(C(C)C)[H] |
| SPLASH | splash10-00di-9000020000-28c86cfa02854a8db90d |
| Source of Spectrum | J-64-1663-3 |
| Wiley ID | 1529490 |