| SpectraBase Compound ID | 90Gb5f25FwS |
|---|---|
| InChI | InChI=1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | AJWQQZIFWOFRRM-HIVYSVCASA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C37H66O8 |
| Exact Mass | 638.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Wjg7ZMOfKc |
|---|---|
| Name | 27-HYDROXYBULLATACIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O8 |
| InChI | InChI=1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | AJWQQZIFWOFRRM-HIVYSVCASA-N |
| Literature Reference Author | X.X.LIU,E.PILARINOU,J.L.MCLAUGHLIN |
| Literature Reference Citation | J.NAT.PROD.,62,848(1999) |
| Literature Reference DOI | 10.1021/np980552j |
| Molecular Weight | 638.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG314 |