| SpectraBase Compound ID | 4U2vu9Aj13m |
|---|---|
| InChI | InChI=1S/C65H104O33/c1-24-16-64(97-53(24)84)17-25(2)65(98-64)15-14-62(6)28-8-9-34-60(4,27(28)10-13-63(62,65)7)12-11-35(61(34,5)23-69)92-55-47(82)44(79)40(75)33(91-55)22-86-57-50(37(72)29(70)21-85-57)95-59-52(96-54-46(81)42(77)36(71)26(3)87-54)49(41(76)32(20-68)90-59)93-58-51(45(80)39(74)31(19-67)89-58)94-56-48(83)43(78)38(73)30(18-66)88-56/h24-26,29-52,54-59,66-83H,8-23H2,1-7H3/t24-,25-,26+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46-,47-,48+,49+,50-,51-,52-,54+,55+,56-,57+,58+,59+,60-,61-,62+,63+,64+,65+/m1/s1 |
| InChIKey | YMUZEIXOJKTBFW-UAYWCZHBSA-N |
| Mol Weight | 1413.5 g/mol |
| Molecular Formula | C65H104O33 |
| Exact Mass | 1412.645986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oNqe8yXcnV |
|---|---|
| Name | SCILLASAPONIN-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H104O33 |
| InChI | InChI=1S/C65H104O33/c1-24-16-64(97-53(24)84)17-25(2)65(98-64)15-14-62(6)28-8-9-34-60(4,27(28)10-13-63(62,65)7)12-11-35(61(34,5)23-69)92-55-47(82)44(79)40(75)33(91-55)22-86-57-50(37(72)29(70)21-85-57)95-59-52(96-54-46(81)42(77)36(71)26(3)87-54)49(41(76)32(20-68)90-59)93-58-51(45(80)39(74)31(19-67)89-58)94-56-48(83)43(78)38(73)30(18-66)88-56/h24-26,29-52,54-59,66-83H,8-23H2,1-7H3/t24-,25-,26+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46-,47-,48+,49+,50-,51-,52-,54+,55+,56-,57+,58+,59+,60-,61-,62+,63+,64+,65+/m1/s1 |
| InChIKey | YMUZEIXOJKTBFW-UAYWCZHBSA-N |
| Literature Reference Author | Y.MIMAKI,S.KUBO,Y.KINOSHITA,Y.SASHIDA,L.G.SONG,T.NIKAIDO,T.O HMOTO |
| Literature Reference Citation | PHYTOCHEM.,34,791(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85361-T |
| Molecular Weight | 1413.521 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6678 |