| SpectraBase Compound ID | FhQCtxnJiBP |
|---|---|
| InChI | InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,47-,48-,49+,50-,51+,52-/m0/s1 |
| InChIKey | JXTOWLUQSHIIDP-SLFGARTFSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C52H84O22 |
| Exact Mass | 1060.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq11HqUnd9S |
|---|---|
| Name | ARDISIACRISPIN-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O22 |
| InChI | InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,47-,48-,49+,50-,51+,52-/m0/s1 |
| InChIKey | JXTOWLUQSHIIDP-SLFGARTFSA-N |
| Literature Reference Author | S.J.BLOOR,L.QI |
| Literature Reference Citation | J.NAT.PROD.,57,1354(1994) |
| Literature Reference DOI | 10.1021/np50112a004 |
| Molecular Weight | 1061.226 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWTS2622 |