| SpectraBase Compound ID | Lb1o4eFwosc |
|---|---|
| InChI | InChI=1S/C63H96O28/c1-16-18-24-27-43-28-25-22-20-19-21-23-26-29-45(71)86-52-48(89-61-54(83-42(15)70)51(81-40(13)68)47(34(7)76-61)87-59(73)32(5)17-2)35(8)77-62(55(52)88-58(72)31(3)4)90-57-53(82-41(14)69)49(79-38(11)66)44(30-74-36(9)64)85-63(57)91-56-50(80-39(12)67)46(78-37(10)65)33(6)75-60(56)84-43/h17,31,33-35,43-44,46-57,60-63H,16,18-30H2,1-15H3/b32-17+/t33-,34+,35+,43+,44-,46-,47+,48+,49-,50+,51-,52-,53+,54+,55-,56-,57-,60+,61-,62+,63+/m0/s1 |
| InChIKey | BXKCAOJQGQFKJU-NQWRNIMYSA-N |
| Mol Weight | 1301.4 g/mol |
| Molecular Formula | C63H96O28 |
| Exact Mass | 1300.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TRob8IUKSg |
|---|---|
| Name | SCAMMONIN-III-ACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H96O28 |
| InChI | InChI=1S/C63H96O28/c1-16-18-24-27-43-28-25-22-20-19-21-23-26-29-45(71)86-52-48(89-61-54(83-42(15)70)51(81-40(13)68)47(34(7)76-61)87-59(73)32(5)17-2)35(8)77-62(55(52)88-58(72)31(3)4)90-57-53(82-41(14)69)49(79-38(11)66)44(30-74-36(9)64)85-63(57)91-56-50(80-39(12)67)46(78-37(10)65)33(6)75-60(56)84-43/h17,31,33-35,43-44,46-57,60-63H,16,18-30H2,1-15H3/b32-17+/t33-,34+,35+,43+,44-,46-,47+,48+,49-,50+,51-,52-,53+,54+,55-,56-,57-,60+,61-,62+,63+/m0/s1 |
| InChIKey | BXKCAOJQGQFKJU-NQWRNIMYSA-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 | 1301.438 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29658 |