| SpectraBase Compound ID | EUcoyPOdJzE |
|---|---|
| InChI | InChI=1S/C42H80O11/c1-4-5-13-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-19-34(45)17-8-15-32(43)14-7-16-33(44)18-9-21-36(47)26-35(46)20-6-12-30(2)25-42(52)53-41/h25,31-41,43-51H,4-24,26-29H2,1-3H3/b30-25+/t31?,32?,33?,34?,35-,36+,37-,38-,39?,40-,41?/m0/s1 |
| InChIKey | XCMPEWXFVPCAPO-UHFHEBRASA-N |
| Mol Weight | 761.1 g/mol |
| Molecular Formula | C42H80O11 |
| Exact Mass | 760.570063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1y0M0cusrSM |
|---|---|
| Name | CAYLOBOLIDE_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H80O11 |
| InChI | InChI=1S/C42H80O11/c1-4-5-13-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-19-34(45)17-8-15-32(43)14-7-16-33(44)18-9-21-36(47)26-35(46)20-6-12-30(2)25-42(52)53-41/h25,31-41,43-51H,4-24,26-29H2,1-3H3/b30-25+/t31?,32?,33?,34?,35-,36+,37-,38-,39?,40-,41?/m0/s1 |
| InChIKey | XCMPEWXFVPCAPO-UHFHEBRASA-N |
| Literature Reference Author | L.A.SALVADOR,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,73,1606(2010) |
| Literature Reference DOI | 10.1021/np100467d |
| Molecular Weight | 761.091 g/mol |
| Sample ID | 36202 |
| Solvent | DMSO-D6 |