| SpectraBase Compound ID | 6qj2QVy6Co8 |
|---|---|
| InChI | InChI=1S/C65H106O31/c1-25-36(70)51(94-55-48(82)44(78)50(31(22-68)90-55)93-54-46(80)42(76)39(73)30(21-67)89-54)49(83)57(87-25)95-52-37(71)28(69)23-85-58(52)92-35-12-13-62(6)33(61(35,4)5)11-14-64(8)34(62)10-9-26-27-19-60(2,3)15-17-65(27,18-16-63(26,64)7)59(84)96-56-47(81)43(77)40(74)32(91-56)24-86-53-45(79)41(75)38(72)29(20-66)88-53/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,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-,62-,63+,64+,65-/m0/s1 |
| InChIKey | JZBAYEDJGKCDRG-LOUJQPSLSA-N |
| Mol Weight | 1383.5 g/mol |
| Molecular Formula | C65H106O31 |
| Exact Mass | 1382.671807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qgWmfsRYg |
|---|---|
| Name | SCABIOSAPONIN-G;3-O-BETA-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYLOLEANOLIC-ACID-28-O- |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O31 |
| InChI | InChI=1S/C65H106O31/c1-25-36(70)51(94-55-48(82)44(78)50(31(22-68)90-55)93-54-46(80)42(76)39(73)30(21-67)89-54)49(83)57(87-25)95-52-37(71)28(69)23-85-58(52)92-35-12-13-62(6)33(61(35,4)5)11-14-64(8)34(62)10-9-26-27-19-60(2,3)15-17-65(27,18-16-63(26,64)7)59(84)96-56-47(81)43(77)40(74)32(91-56)24-86-53-45(79)41(75)38(72)29(20-66)88-53/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,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-,62-,63+,64+,65-/m0/s1 |
| InChIKey | JZBAYEDJGKCDRG-LOUJQPSLSA-N |
| Literature Reference Author | Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,67,604(2004) |
| Literature Reference DOI | 10.1021/np0304722 |
| Molecular Weight | 1383.538 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7431 |