| SpectraBase Compound ID | DCG6cgndPPo |
|---|---|
| InChI | InChI=1S/C27H28O10/c1-11(2)8-18(31)36-26-23(33)25(37-27(24(26)34)35-13(4)28)19-14-6-5-7-16(29)20(14)22(32)21-15(19)9-12(3)10-17(21)30/h5-10,19,23-27,29-30,33-34H,1-4H3/t19-,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey | NVWRUTJMHZBGQX-ZSXTWDPGSA-N |
| Mol Weight | 512.51 g/mol |
| Molecular Formula | C27H28O10 |
| Exact Mass | 512.168247 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K3M1Y2xviBQ |
|---|---|
| Name | Alvaradoin G |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H28O10 |
| InChI | InChI=1S/C27H28O10/c1-11(2)8-18(31)36-26-23(33)25(37-27(24(26)34)35-13(4)28)19-14-6-5-7-16(29)20(14)22(32)21-15(19)9-12(3)10-17(21)30/h5-10,19,23-27,29-30,33-34H,1-4H3/t19-,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey | NVWRUTJMHZBGQX-ZSXTWDPGSA-N |
| Molecular Weight | 512.511 g/mol |
| SMILES | Oc1c2C(c3c(cc(cc3[C@@](c2ccc1)([C@]1(O[C@](OC(=O)C)([C@@]([C@@]([C@]1(O)[H])(OC(C=C(C)C)=O)[H])(O)[H])[H])[H])[H])C)O)=O |
| SPLASH | splash10-0006-0090000000-9a935cd2f70f57d24fac |
| Source of Spectrum | G4-70-959-3 |
| Synonyms | 3-Methyl-2-butenoic acid [(2R,3R,4R,5S,6R)-2-acetyloxy-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5-dihydroxy-4-oxanyl] ester [(2R,3R,4R,5S,6R)-2-acetyloxy-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl] 3-methylbut-2-enoate [(2R,3R,4R,5S,6R)-2-acetoxy-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5-dihydroxy-tetrahydropyran-4-yl] 3-methylbut-2-enoate [(2R,3R,4R,5S,6R)-2-acetyloxy-6-[(9R)-2-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-3,5-bis(oxidanyl)oxan-4-yl] 3-methylbut-2-enoate |
| Wiley ID | 1694776 |