| SpectraBase Compound ID | 7dPxWCOlJuV |
|---|---|
| InChI | InChI=1S/C62H100O33/c1-21-7-10-62(83-19-21)22(2)36-29(95-62)12-27-25-6-5-23-11-24(8-9-60(23,3)26(25)13-35(69)61(27,36)4)84-55-46(79)43(76)50(34(18-67)89-55)91-59-53(94-58-48(81)51(39(72)32(16-65)87-58)92-57-45(78)42(75)38(71)31(15-64)86-57)52(40(73)33(17-66)88-59)93-54-47(80)49(28(68)20-82-54)90-56-44(77)41(74)37(70)30(14-63)85-56/h21-34,36-59,63-68,70-81H,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+,62+/m0/s1 |
| InChIKey | LIMAWRXWMAIOLU-MZQGTOLRSA-N |
| Mol Weight | 1373.4 g/mol |
| Molecular Formula | C62H100O33 |
| Exact Mass | 1372.614686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX9WvFCyELa |
|---|---|
| Name | DIURANTHOSIDE_C;NEOHECOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H100O33 |
| InChI | InChI=1S/C62H100O33/c1-21-7-10-62(83-19-21)22(2)36-29(95-62)12-27-25-6-5-23-11-24(8-9-60(23,3)26(25)13-35(69)61(27,36)4)84-55-46(79)43(76)50(34(18-67)89-55)91-59-53(94-58-48(81)51(39(72)32(16-65)87-58)92-57-45(78)42(75)38(71)31(15-64)86-57)52(40(73)33(17-66)88-59)93-54-47(80)49(28(68)20-82-54)90-56-44(77)41(74)37(70)30(14-63)85-56/h21-34,36-59,63-68,70-81H,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+,62+/m0/s1 |
| InChIKey | LIMAWRXWMAIOLU-MZQGTOLRSA-N |
| Literature Reference Author | X.C.LI,Y.F.WANG,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3899(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85355-J |
| Molecular Weight | 1373.456 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19531 |