| SpectraBase Compound ID | GiK7MIigWpH |
|---|---|
| InChI | InChI=1S/C77H118O31/c1-36(80)45-23-26-77(88)75(45,8)54(102-55(81)20-19-42-17-15-14-16-18-42)33-53-74(7)24-22-44(27-43(74)21-25-76(53,77)87)99-56-28-46(89-9)66(37(2)94-56)103-57-29-47(90-10)67(38(3)95-57)104-58-30-48(91-11)68(39(4)96-58)105-59-31-49(92-12)69(40(5)97-59)106-60-32-50(93-13)70(41(6)98-60)107-73-65(86)63(84)71(52(35-79)101-73)108-72-64(85)62(83)61(82)51(34-78)100-72/h14-21,37-41,44-54,56-73,78-79,82-88H,22-35H2,1-13H3/b20-19+/t37-,38+,39-,40+,41-,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74+,75+,76+,77-/m1/s1 |
| InChIKey | QOCNWYLEGFJJTQ-WTHOVLCDSA-N |
| Mol Weight | 1539.8 g/mol |
| Molecular Formula | C77H118O31 |
| Exact Mass | 1538.765707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4loywh35mAg |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-CELLOBIOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMARO |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H118O31 |
| InChI | InChI=1S/C77H118O31/c1-36(80)45-23-26-77(88)75(45,8)54(102-55(81)20-19-42-17-15-14-16-18-42)33-53-74(7)24-22-44(27-43(74)21-25-76(53,77)87)99-56-28-46(89-9)66(37(2)94-56)103-57-29-47(90-10)67(38(3)95-57)104-58-30-48(91-11)68(39(4)96-58)105-59-31-49(92-12)69(40(5)97-59)106-60-32-50(93-13)70(41(6)98-60)107-73-65(86)63(84)71(52(35-79)101-73)108-72-64(85)62(83)61(82)51(34-78)100-72/h14-21,37-41,44-54,56-73,78-79,82-88H,22-35H2,1-13H3/b20-19+/t37-,38+,39-,40+,41-,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74+,75+,76+,77-/m1/s1 |
| InChIKey | QOCNWYLEGFJJTQ-WTHOVLCDSA-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 | 1539.765 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4362 |