| SpectraBase Compound ID | H5EHjevyq9W |
|---|---|
| InChI | InChI=1S/C42H82O11/c1-4-5-12-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-20-35(46)18-8-16-33(44)14-6-13-32(43)15-7-17-34(45)19-9-21-36(47)25-30(2)26-42(52)53-41/h30-41,43-51H,4-29H2,1-3H3/t30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41?/m0/s1 |
| InChIKey | ROFXLRMRNXXAJM-WGZXOTHDSA-N |
| Mol Weight | 763.1 g/mol |
| Molecular Formula | C42H82O11 |
| Exact Mass | 762.585713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WehAjaS24K |
|---|---|
| Name | (25-S,27-S,33-S)-CAYLOBOLIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H82O11 |
| InChI | InChI=1S/C42H82O11/c1-4-5-12-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-20-35(46)18-8-16-33(44)14-6-13-32(43)15-7-17-34(45)19-9-21-36(47)25-30(2)26-42(52)53-41/h30-41,43-51H,4-29H2,1-3H3/t30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41?/m0/s1 |
| InChIKey | ROFXLRMRNXXAJM-WGZXOTHDSA-N |
| Literature Reference Author | J.B.MACMILLAN,T.F.MOLINSKI |
| Literature Reference Citation | ORG.LETTERS,4,1535(2002) |
| Literature Reference DOI | 10.1021/ol025759p |
| Molecular Weight | 763.106 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ25693 |