| SpectraBase Compound ID | AIWbFDrxQ81 |
|---|---|
| InChI | InChI=1S/C61H100O33/c1-21(18-82-53-46(78)42(74)39(71)31(14-62)86-53)7-10-61(81)22(2)36-30(94-61)12-27-25-6-5-23-11-24(8-9-59(23,3)26(25)13-35(68)60(27,36)4)85-56-47(79)43(75)49(34(17-65)89-56)90-58-52(51(41(73)33(16-64)88-58)92-55-45(77)38(70)29(67)20-84-55)93-57-48(80)50(40(72)32(15-63)87-57)91-54-44(76)37(69)28(66)19-83-54/h21-34,36-58,62-67,69-81H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-,30?,31+,32+,33+,34-,36?,37-,38+,39+,40+,41+,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52+,53+,54-,55+,56-,57-,58-,59+,60-,61-/m1/s1 |
| InChIKey | IKHQZZXKLQHTRB-YWNHATEBSA-N |
| Mol Weight | 1361.4 g/mol |
| Molecular Formula | C61H100O33 |
| Exact Mass | 1360.614686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQrx3dtE9zt |
|---|---|
| Name | POLIANTHOSIDE-E;26-O-BETA-D-GLUCOPYRANOSYL-(25R)-5-ALPHA-FUROST-3-BETA,22-ALPHA,26-TRIOL-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H100O33 |
| InChI | InChI=1S/C61H100O33/c1-21(18-82-53-46(78)42(74)39(71)31(14-62)86-53)7-10-61(81)22(2)36-30(94-61)12-27-25-6-5-23-11-24(8-9-59(23,3)26(25)13-35(68)60(27,36)4)85-56-47(79)43(75)49(34(17-65)89-56)90-58-52(51(41(73)33(16-64)88-58)92-55-45(77)38(70)29(67)20-84-55)93-57-48(80)50(40(72)32(15-63)87-57)91-54-44(76)37(69)28(66)19-83-54/h21-34,36-58,62-67,69-81H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-,30?,31+,32+,33+,34-,36?,37-,38+,39+,40+,41+,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52+,53+,54-,55+,56-,57-,58-,59+,60-,61-/m1/s1 |
| InChIKey | IKHQZZXKLQHTRB-YWNHATEBSA-N |
| Literature Reference Author | J.M.JIN,Y.J.ZHANG,C.R.YANG |
| Literature Reference Citation | J.NAT.PROD.,67,5(2004) |
| Literature Reference DOI | 10.1021/np034028a |
| Molecular Weight | 1361.445 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP875 |