| SpectraBase Compound ID | HC4gBFIJ510 |
|---|---|
| InChI | InChI=1S/C70H106O28/c1-33(73)41-21-24-70(81)68(41,7)49(93-50(74)18-17-38-15-13-12-14-16-38)30-48-67(6)22-20-40(25-39(67)19-23-69(48,70)80)90-51-26-42(82-8)60(34(2)86-51)94-52-27-43(83-9)61(35(3)87-52)95-53-28-44(84-10)62(36(4)88-53)96-54-29-45(85-11)63(37(5)89-54)97-66-59(79)57(77)64(47(32-72)92-66)98-65-58(78)56(76)55(75)46(31-71)91-65/h12-19,34-37,40-49,51-66,71-72,75-81H,20-32H2,1-11H3/b18-17+/t34-,35+,36-,37+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,51+,52-,53+,54-,55+,56-,57-,58+,59-,60-,61+,62-,63+,64-,65-,66+,67+,68+,69+,70-/m1/s1 |
| InChIKey | CDJWQEKXVVLRQB-DDNWBKFOSA-N |
| Mol Weight | 1395.6 g/mol |
| Molecular Formula | C70H106O28 |
| Exact Mass | 1394.687063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fpaYKEmPeA |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-CELLOBIOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMARO |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H106O28 |
| InChI | InChI=1S/C70H106O28/c1-33(73)41-21-24-70(81)68(41,7)49(93-50(74)18-17-38-15-13-12-14-16-38)30-48-67(6)22-20-40(25-39(67)19-23-69(48,70)80)90-51-26-42(82-8)60(34(2)86-51)94-52-27-43(83-9)61(35(3)87-52)95-53-28-44(84-10)62(36(4)88-53)96-54-29-45(85-11)63(37(5)89-54)97-66-59(79)57(77)64(47(32-72)92-66)98-65-58(78)56(76)55(75)46(31-71)91-65/h12-19,34-37,40-49,51-66,71-72,75-81H,20-32H2,1-11H3/b18-17+/t34-,35+,36-,37+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,51+,52-,53+,54-,55+,56-,57-,58+,59-,60-,61+,62-,63+,64-,65-,66+,67+,68+,69+,70-/m1/s1 |
| InChIKey | CDJWQEKXVVLRQB-DDNWBKFOSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 1395.595 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4361 |