| SpectraBase Compound ID | 7nRRHZ9NMRm |
|---|---|
| InChI | InChI=1S/C63H93ClO22/c1-36-24-27-61-29-26-50(72-9)58(85-61)59(79-43(8)69)57(78-42(7)68)37(2)22-23-49-56(64)54(73-10)34-62(82-49)28-25-38(3)63(86-62)35-53(48(84-63)20-15-13-12-14-16-21-51(60(71)74-11)77-41(6)67)81-55(70)33-45-19-17-18-44(80-45)30-46(75-39(4)65)31-47(76-40(5)66)32-52(36)83-61/h13-16,24,27,36-38,44-54,56-59H,12,17-23,25-26,28-35H2,1-11H3/b15-13+,16-14-/t36-,37-,38-,44-,45+,46+,47-,48-,49+,50-,51?,52+,53-,54+,56+,57-,58-,59-,61-,62+,63+/m0/s1 |
| InChIKey | LJCSSJKRBJQXLL-DYKYZESRSA-N |
| Mol Weight | 1237.9 g/mol |
| Molecular Formula | C63H93ClO22 |
| Exact Mass | 1236.584702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GSTf7eZBIH3 |
|---|---|
| Name | SPIRASTRELLOLIDE-A-METHYLESTER-PENTAACETATE |
| Compound Number | 4-PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H93ClO22 |
| InChI | InChI=1S/C63H93ClO22/c1-36-24-27-61-29-26-50(72-9)58(85-61)59(79-43(8)69)57(78-42(7)68)37(2)22-23-49-56(64)54(73-10)34-62(82-49)28-25-38(3)63(86-62)35-53(48(84-63)20-15-13-12-14-16-21-51(60(71)74-11)77-41(6)67)81-55(70)33-45-19-17-18-44(80-45)30-46(75-39(4)65)31-47(76-40(5)66)32-52(36)83-61/h13-16,24,27,36-38,44-54,56-59H,12,17-23,25-26,28-35H2,1-11H3/b15-13+,16-14-/t36-,37-,38-,44-,45+,46+,47-,48-,49+,50-,51?,52+,53-,54+,56+,57-,58-,59-,61-,62+,63+/m0/s1 |
| InChIKey | LJCSSJKRBJQXLL-DYKYZESRSA-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 | 1237.871 g/mol |
| Sample ID | 38931 |
| Solvent | C6D6 |