| SpectraBase Compound ID | BCxQxHW2Ocq |
|---|---|
| InChI | InChI=1S/C64H96O28/c1-16-19-25-28-44-29-26-23-21-20-22-24-27-30-46(72)87-53-49(90-62-55(84-43(15)71)52(82-41(13)69)48(35(7)77-62)88-59(73)32(4)17-2)36(8)78-63(56(53)89-60(74)33(5)18-3)91-58-54(83-42(14)70)50(80-39(11)67)45(31-75-37(9)65)86-64(58)92-57-51(81-40(12)68)47(79-38(10)66)34(6)76-61(57)85-44/h17-18,34-36,44-45,47-58,61-64H,16,19-31H2,1-15H3/b32-17+,33-18+/t34-,35+,36+,44+,45-,47-,48+,49+,50-,51+,52-,53-,54+,55+,56-,57-,58-,61+,62-,63+,64+/m0/s1 |
| InChIKey | HYQBQUMYFQOBNZ-HXMZHCQZSA-N |
| Mol Weight | 1313.4 g/mol |
| Molecular Formula | C64H96O28 |
| Exact Mass | 1312.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HL6ztAu1xut |
|---|---|
| Name | SCAMMONIN-IV-ACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H96O28 |
| InChI | InChI=1S/C64H96O28/c1-16-19-25-28-44-29-26-23-21-20-22-24-27-30-46(72)87-53-49(90-62-55(84-43(15)71)52(82-41(13)69)48(35(7)77-62)88-59(73)32(4)17-2)36(8)78-63(56(53)89-60(74)33(5)18-3)91-58-54(83-42(14)70)50(80-39(11)67)45(31-75-37(9)65)86-64(58)92-57-51(81-40(12)68)47(79-38(10)66)34(6)76-61(57)85-44/h17-18,34-36,44-45,47-58,61-64H,16,19-31H2,1-15H3/b32-17+,33-18+/t34-,35+,36+,44+,45-,47-,48+,49+,50-,51+,52-,53-,54+,55+,56-,57-,58-,61+,62-,63+,64+/m0/s1 |
| InChIKey | HYQBQUMYFQOBNZ-HXMZHCQZSA-N |
| Literature Reference Author | H.KOGETSU,N.NODA,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,30,957(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85287-A |
| Molecular Weight | 1313.449 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29659 |