![NEOHECOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/1AAbVNYO82b/structure.png?h=300&w=458 "NEOHECOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | tO16cgBGXO |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-35(53)33(51)31(49)20(3)57-40)37(55)38(28(16-47)60-42)61-41-36(54)34(52)32(50)27(15-46)59-41/h18-28,30-42,46-47,49-55H,6-17H2,1-5H3/t18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,30-,31-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-,44+,45+/m0/s1 |
| InChIKey | BFUHLOMEWRSRHR-VNPALVDZSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
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| SpectraBase Spectrum ID | 1AAbVNYO82b |
|---|---|
| Name | NEOHECOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-35(53)33(51)31(49)20(3)57-40)37(55)38(28(16-47)60-42)61-41-36(54)34(52)32(50)27(15-46)59-41/h18-28,30-42,46-47,49-55H,6-17H2,1-5H3/t18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,30-,31-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-,44+,45+/m0/s1 |
| InChIKey | BFUHLOMEWRSRHR-VNPALVDZSA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3893(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85354-I |
| Molecular Weight | 901.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19523 |