| SpectraBase Compound ID | GhQthf8wZXC |
|---|---|
| InChI | InChI=1S/C63H100O27/c1-12-13-36(68)85-48-28(5)84-56(50(45(48)77)88-54-44(76)41(73)47(27(4)83-54)86-52-46(78)49(32(66)23-80-52)87-53-42(74)39(71)37(69)25(2)81-53)90-57(79)63-19-18-58(6,7)20-30(63)29-14-15-34-59(8)21-31(65)51(89-55-43(75)40(72)38(70)26(3)82-55)60(9,24-64)33(59)16-17-61(34,10)62(29,11)22-35(63)67/h12-14,25-28,30-35,37-56,64-67,69-78H,15-24H2,1-11H3/b13-12+/t25-,26+,27+,28-,30?,31?,32+,33?,34?,35-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,53-,54+,55+,56+,59+,60+,61-,62-,63-/m1/s1 |
| InChIKey | VUVHIFAOCWIUSS-ZJOXBWEGSA-N |
| Mol Weight | 1289.5 g/mol |
| Molecular Formula | C63H100O27 |
| Exact Mass | 1288.645198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DurEWO66Zyw |
|---|---|
| Name | BELLISSAPONYN-BA1 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O27 |
| InChI | InChI=1S/C63H100O27/c1-12-13-36(68)85-48-28(5)84-56(50(45(48)77)88-54-44(76)41(73)47(27(4)83-54)86-52-46(78)49(32(66)23-80-52)87-53-42(74)39(71)37(69)25(2)81-53)90-57(79)63-19-18-58(6,7)20-30(63)29-14-15-34-59(8)21-31(65)51(89-55-43(75)40(72)38(70)26(3)82-55)60(9,24-64)33(59)16-17-61(34,10)62(29,11)22-35(63)67/h12-14,25-28,30-35,37-56,64-67,69-78H,15-24H2,1-11H3/b13-12+/t25-,26+,27+,28-,30?,31?,32+,33?,34?,35-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,53-,54+,55+,56+,59+,60+,61-,62-,63-/m1/s1 |
| InChIKey | VUVHIFAOCWIUSS-ZJOXBWEGSA-N |
| Literature Reference Author | T.SCHOEPKE,K.HILLER,V.WRAY,M.NIMTZ,K.YAMASAKI,R.KASAI |
| Literature Reference Citation | J.NAT.PROD.,59,355(1996) |
| Literature Reference DOI | 10.1021/np9600715 |
| Molecular Weight | 1289.471 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2392 |