| SpectraBase Compound ID | FvxdhBQThdN |
|---|---|
| InChI | InChI=1S/C50H86O22/c1-9-11-17-20-30-21-18-15-13-12-14-16-19-22-32(53)67-43-40(70-47-38(59)37(58)39(28(7)63-47)68-46(61)25(4)26(5)52)29(8)64-50(44(43)69-45(60)24(3)10-2)72-42-36(57)34(55)31(23-51)66-49(42)71-41-35(56)33(54)27(6)62-48(41)65-30/h24-31,33-44,47-52,54-59H,9-23H2,1-8H3/t24?,25?,26?,27-,28-,29+,30+,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | VTCACSFZWLHMDR-AXNDCMCQSA-N |
| Mol Weight | 1039.2 g/mol |
| Molecular Formula | C50H86O22 |
| Exact Mass | 1038.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v57VMNBU2c |
|---|---|
| Name | ORIZABIN-V |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O22 |
| InChI | InChI=1S/C50H86O22/c1-9-11-17-20-30-21-18-15-13-12-14-16-19-22-32(53)67-43-40(70-47-38(59)37(58)39(28(7)63-47)68-46(61)25(4)26(5)52)29(8)64-50(44(43)69-45(60)24(3)10-2)72-42-36(57)34(55)31(23-51)66-49(42)71-41-35(56)33(54)27(6)62-48(41)65-30/h24-31,33-44,47-52,54-59H,9-23H2,1-8H3/t24?,25?,26?,27-,28-,29+,30+,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | VTCACSFZWLHMDR-AXNDCMCQSA-N |
| Literature Reference Author | B.HERNANDEZ-CARLOS,R.BYE,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,62,1096(1999) |
| Literature Reference DOI | 10.1021/np9900627 |
| Molecular Weight | 1039.220 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP8677 |