| SpectraBase Compound ID | EGCsIVD10gE |
|---|---|
| InChI | InChI=1S/C53H83ClO17/c1-31-19-22-51-24-21-41(62-4)49(70-51)48(60)47(59)32(2)17-18-40-46(54)44(63-5)29-52(67-40)23-20-33(3)53(71-52)30-43(39(69-53)16-11-9-7-8-10-15-38(57)50(61)64-6)66-45(58)28-37-14-12-13-36(65-37)26-34(55)25-35(56)27-42(31)68-51/h8-11,19,22,31-44,46-49,55-57,59-60H,7,12-18,20-21,23-30H2,1-6H3/b10-8-,11-9+/t31-,32-,33-,34-,35-,36-,37+,38?,39-,40+,41-,42+,43-,44+,46+,47-,48-,49-,51-,52+,53+/m0/s1 |
| InChIKey | MRMBEOJFXSSQEB-YOKQMWQYSA-N |
| Mol Weight | 1027.7 g/mol |
| Molecular Formula | C53H83ClO17 |
| Exact Mass | 1026.531879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MeQ4nnyDet |
|---|---|
| Name | SPIRASTRELLOLIDE-A-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H83ClO17 |
| InChI | InChI=1S/C53H83ClO17/c1-31-19-22-51-24-21-41(62-4)49(70-51)48(60)47(59)32(2)17-18-40-46(54)44(63-5)29-52(67-40)23-20-33(3)53(71-52)30-43(39(69-53)16-11-9-7-8-10-15-38(57)50(61)64-6)66-45(58)28-37-14-12-13-36(65-37)26-34(55)25-35(56)27-42(31)68-51/h8-11,19,22,31-44,46-49,55-57,59-60H,7,12-18,20-21,23-30H2,1-6H3/b10-8-,11-9+/t31-,32-,33-,34-,35-,36-,37+,38?,39-,40+,41-,42+,43-,44+,46+,47-,48-,49-,51-,52+,53+/m0/s1 |
| InChIKey | MRMBEOJFXSSQEB-YOKQMWQYSA-N |
| Literature Reference Author | D.E.WILLIAMS,M.LAPAWA,X.FENG,T.TARLING,M.ROBERGE,R.J.ANDERSE N |
| Literature Reference Citation | ORG.LETTERS,6,2607(2004) |
| Literature Reference DOI | 10.1021/ol0490983 |
| Molecular Weight | 1027.685 g/mol |
| Sample ID | 38929 |
| Solvent | C6D6 |