| SpectraBase Compound ID | 8UqupBJ3QDV |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,48+,49+,50-,51+,52-,53+/m1/s1 |
| InChIKey | ZDIHSHLFPFGAGP-OIJQZSGFSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsvbD2syHON |
|---|---|
| Name | ARDISIACRISPIN-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,48+,49+,50-,51+,52-,53+/m1/s1 |
| InChIKey | ZDIHSHLFPFGAGP-OIJQZSGFSA-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 | 1075.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWTS2621 |