| SpectraBase Compound ID | BIzC7B35FvK |
|---|---|
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29?,30-,31-,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | KGGVWMAPBXIMEM-OHCIAEEBSA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C37H66O7 |
| Exact Mass | 622.480854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cxRZr5vXDe |
|---|---|
| Name | BULLATACINONE;ISOMER-#1 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O7 |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29?,30-,31-,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | KGGVWMAPBXIMEM-OHCIAEEBSA-N |
| Literature Reference Author | J.K.RUPPRECHT,Y.H.HUI,J.L.MCLAUGHLIN |
| Literature Reference Citation | J.NAT.PROD.,53,237(1990) |
| Literature Reference DOI | 10.1021/np50068a001 |
| Molecular Weight | 622.927 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15009 |