| SpectraBase Compound ID | G3SpVPNSgcJ |
|---|---|
| InChI | InChI=1S/C77H124O38/c1-29(81)19-44(85)102-30(2)20-45(86)103-31(3)21-46(87)109-60-34(6)106-70(63(56(60)97)113-67-55(96)52(93)59(33(5)105-67)110-65-57(98)61(38(83)27-101-65)111-66-53(94)50(91)47(88)32(4)104-66)115-71(100)77-18-17-72(7,8)22-36(77)35-13-14-42-73(9)23-37(82)64(74(10,28-80)41(73)15-16-75(42,11)76(35,12)24-43(77)84)114-69-58(99)62(49(90)40(26-79)108-69)112-68-54(95)51(92)48(89)39(25-78)107-68/h13,29-34,36-43,47-70,78-84,88-99H,14-28H2,1-12H3/t29?,30?,31?,32-,33+,34-,36?,37+,38+,39-,40-,41?,42?,43-,47-,48-,49-,50+,51+,52+,53+,54-,55-,56+,57+,58-,59+,60+,61-,62+,63-,64+,65-,66-,67+,68+,69+,70+,73+,74+,75-,76-,77-/m1/s1 |
| InChIKey | ZGNBQNZPKMUJDW-MQVCXIPLSA-N |
| Mol Weight | 1657.8 g/mol |
| Molecular Formula | C77H124O38 |
| Exact Mass | 1656.77706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ky3IHS6tWqR |
|---|---|
| Name | SOLIDAGOSAPONIN_XIV-GLUCOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H124O38 |
| InChI | InChI=1S/C77H124O38/c1-29(81)19-44(85)102-30(2)20-45(86)103-31(3)21-46(87)109-60-34(6)106-70(63(56(60)97)113-67-55(96)52(93)59(33(5)105-67)110-65-57(98)61(38(83)27-101-65)111-66-53(94)50(91)47(88)32(4)104-66)115-71(100)77-18-17-72(7,8)22-36(77)35-13-14-42-73(9)23-37(82)64(74(10,28-80)41(73)15-16-75(42,11)76(35,12)24-43(77)84)114-69-58(99)62(49(90)40(26-79)108-69)112-68-54(95)51(92)48(89)39(25-78)107-68/h13,29-34,36-43,47-70,78-84,88-99H,14-28H2,1-12H3/t29?,30?,31?,32-,33+,34-,36?,37+,38+,39-,40-,41?,42?,43-,47-,48-,49-,50+,51+,52+,53+,54-,55-,56+,57+,58-,59+,60+,61-,62+,63-,64+,65-,66-,67+,68+,69+,70+,73+,74+,75-,76-,77-/m1/s1 |
| InChIKey | ZGNBQNZPKMUJDW-MQVCXIPLSA-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 | 1657.809 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP676 |