| SpectraBase Compound ID | 3pL1smTCcc8 |
|---|---|
| InChI | InChI=1S/C61H92O28/c1-15-17-23-26-42-27-24-21-19-18-20-22-25-28-44(70)85-51-47(87-59-53(82-41(14)69)49(79-38(11)66)45(32(5)74-59)76-35(8)63)33(6)75-60(54(51)86-57(71)30(3)16-2)88-56-52(81-40(13)68)48(78-37(10)65)43(29-72-34(7)62)84-61(56)89-55-50(80-39(12)67)46(77-36(9)64)31(4)73-58(55)83-42/h16,31-33,42-43,45-56,58-61H,15,17-29H2,1-14H3/b30-16+/t31-,32-,33-,42+,43-,45-,46-,47-,48-,49+,50+,51+,52+,53-,54+,55-,56-,58+,59+,60-,61+/m0/s1 |
| InChIKey | XMHBNVOKTWBGOR-LBFUGAEZSA-N |
| Mol Weight | 1273.4 g/mol |
| Molecular Formula | C61H92O28 |
| Exact Mass | 1272.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iu8vxjEkei |
|---|---|
| Name | SCAMMONIN-VI-ACETATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H92O28 |
| InChI | InChI=1S/C61H92O28/c1-15-17-23-26-42-27-24-21-19-18-20-22-25-28-44(70)85-51-47(87-59-53(82-41(14)69)49(79-38(11)66)45(32(5)74-59)76-35(8)63)33(6)75-60(54(51)86-57(71)30(3)16-2)88-56-52(81-40(13)68)48(78-37(10)65)43(29-72-34(7)62)84-61(56)89-55-50(80-39(12)67)46(77-36(9)64)31(4)73-58(55)83-42/h16,31-33,42-43,45-56,58-61H,15,17-29H2,1-14H3/b30-16+/t31-,32-,33-,42+,43-,45-,46-,47-,48-,49+,50+,51+,52+,53-,54+,55-,56-,58+,59+,60-,61+/m0/s1 |
| InChIKey | XMHBNVOKTWBGOR-LBFUGAEZSA-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 | 1273.385 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29660 |