| SpectraBase Compound ID | ALzIhH9I2Hg |
|---|---|
| InChI | InChI=1S/C71H114O33/c1-28(74)19-42(78)93-29(2)20-43(79)94-30(3)21-44(80)99-56-33(6)97-64(58(53(56)89)102-62-52(88)49(85)55(32(5)96-62)100-60-54(90)57(37(76)26-92-60)101-61-50(86)47(83)45(81)31(4)95-61)104-65(91)71-18-17-66(7,8)22-35(71)34-13-14-40-67(9)23-36(75)59(103-63-51(87)48(84)46(82)38(25-72)98-63)68(10,27-73)39(67)15-16-69(40,11)70(34,12)24-41(71)77/h13,28-33,35-41,45-64,72-77,81-90H,14-27H2,1-12H3/t28?,29?,30?,31-,32+,33-,35?,36+,37+,38-,39?,40?,41-,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,61-,62+,63+,64+,67+,68+,69-,70-,71-/m1/s1 |
| InChIKey | LCGRGKKBXCYLQN-KVYBQXIASA-N |
| Mol Weight | 1495.7 g/mol |
| Molecular Formula | C71H114O33 |
| Exact Mass | 1494.724236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fpwD8gmlxU |
|---|---|
| Name | SOLIDAGOSAPONIN_XIV |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H114O33 |
| InChI | InChI=1S/C71H114O33/c1-28(74)19-42(78)93-29(2)20-43(79)94-30(3)21-44(80)99-56-33(6)97-64(58(53(56)89)102-62-52(88)49(85)55(32(5)96-62)100-60-54(90)57(37(76)26-92-60)101-61-50(86)47(83)45(81)31(4)95-61)104-65(91)71-18-17-66(7,8)22-35(71)34-13-14-40-67(9)23-36(75)59(103-63-51(87)48(84)46(82)38(25-72)98-63)68(10,27-73)39(67)15-16-69(40,11)70(34,12)24-41(71)77/h13,28-33,35-41,45-64,72-77,81-90H,14-27H2,1-12H3/t28?,29?,30?,31-,32+,33-,35?,36+,37+,38-,39?,40?,41-,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,61-,62+,63+,64+,67+,68+,69-,70-,71-/m1/s1 |
| InChIKey | LCGRGKKBXCYLQN-KVYBQXIASA-N |
| Literature Reference Author | G.BADER,V.WRAY,K.HILLER |
| Literature Reference Citation | PLANTA.MED.,61,158(1995) |
| Literature Reference DOI | 10.1055/s-2006-958038 |
| Molecular Weight | 1495.666 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP672 |