| SpectraBase Compound ID | 4Rjc9Yir2Tz |
|---|---|
| InChI | InChI=1S/C30H40O7/c1-16-13-24(36-26(33)17(16)2)28(5,34)22-9-8-21-19-14-25-30(37-25)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-35-18(3)31/h6-7,19-22,24-25,34H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | QIBFXWZGBLJTNM-OMWDGGKISA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C30H40O7 |
| Exact Mass | 512.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4r6xivOIamB |
|---|---|
| Name | Physacoztolide C |
| Appearance | Amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O7 |
| InChI | InChI=1S/C30H40O7/c1-16-13-24(36-26(33)17(16)2)28(5,34)22-9-8-21-19-14-25-30(37-25)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-35-18(3)31/h6-7,19-22,24-25,34H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | QIBFXWZGBLJTNM-OMWDGGKISA-N |
| Instrument Name | JEOL JMS-AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0601354 |
| Molecular Weight | 512.643 g/mol |
| Optical Rotation | [a]D25 = +61.0 (c = 0.21, MeOH) |
| SMILES | O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(C(C=CC[C@@]44[C@@](C[C@]3([C@@]2(CC1)[H])[H])(O4)[H])=O)C)[H])COC(=O)C)[H])([C@]1(CC(=C(C(O1)=O)C)C)[H])C |
| SPLASH | splash10-004i-1309000000-e13d5054ad325820f35e |
| Source of Spectrum | G4-69-1032-7 |
| Wiley ID | 1874241 |