| SpectraBase Compound ID | ChIg8OVwAA6 |
|---|---|
| InChI | InChI=1S/C65H106O32/c1-23-35(72)39(76)43(80)54(87-23)93-49-29(70)21-86-53(46(49)83)92-48-25(3)89-55(45(82)42(48)79)95-51-41(78)36(73)24(2)88-58(51)97-59(85)65-15-14-60(4,5)16-27(65)26-10-11-33-61(6)17-28(69)52(62(7,22-68)32(61)12-13-63(33,8)64(26,9)18-34(65)71)96-57-47(84)50(38(75)31(20-67)91-57)94-56-44(81)40(77)37(74)30(19-66)90-56/h10,23-25,27-58,66-84H,11-22H2,1-9H3/t23-,24-,25+,27?,28+,29+,30-,31-,32?,33?,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55+,56+,57+,58+,61+,62+,63-,64-,65-/m1/s1 |
| InChIKey | ZMXMZAWKRXPNCN-UNMKWFFXSA-N |
| Mol Weight | 1399.5 g/mol |
| Molecular Formula | C65H106O32 |
| Exact Mass | 1398.666721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7knlMr6LeOg |
|---|---|
| Name | VIRGAUREASAPONIN-2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O32 |
| InChI | InChI=1S/C65H106O32/c1-23-35(72)39(76)43(80)54(87-23)93-49-29(70)21-86-53(46(49)83)92-48-25(3)89-55(45(82)42(48)79)95-51-41(78)36(73)24(2)88-58(51)97-59(85)65-15-14-60(4,5)16-27(65)26-10-11-33-61(6)17-28(69)52(62(7,22-68)32(61)12-13-63(33,8)64(26,9)18-34(65)71)96-57-47(84)50(38(75)31(20-67)91-57)94-56-44(81)40(77)37(74)30(19-66)90-56/h10,23-25,27-58,66-84H,11-22H2,1-9H3/t23-,24-,25+,27?,28+,29+,30-,31-,32?,33?,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55+,56+,57+,58+,61+,62+,63-,64-,65-/m1/s1 |
| InChIKey | ZMXMZAWKRXPNCN-UNMKWFFXSA-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 | 1399.537 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP671 |