![CANTALASAPONIN-1=3,6-DI-O-[BETA-D-GLUCOPYRANOSYL]-(25R)-5-ALPHA-SPIROSTAN-3-BETA,6-ALPHA,23-ALPHA-TRIOL](/api/spectrum/6DUc9CeaosS/structure.png?h=300&w=458 "CANTALASAPONIN-1=3,6-DI-O-[BETA-D-GLUCOPYRANOSYL]-(25R)-5-ALPHA-SPIROSTAN-3-BETA,6-ALPHA,23-ALPHA-TRIOL")
| SpectraBase Compound ID | 4EpU3HuWvGE |
|---|---|
| InChI | InChI=1S/C39H64O15/c1-16-9-27(42)39(49-15-16)17(2)28-24(54-39)12-21-19-11-23(51-36-34(48)32(46)30(44)26(14-41)53-36)22-10-18(5-7-37(22,3)20(19)6-8-38(21,28)4)50-35-33(47)31(45)29(43)25(13-40)52-35/h16-36,40-48H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+/m1/s1 |
| InChIKey | JLLFUINRPWOBGS-PNVNKLQISA-N |
| Mol Weight | 772.9 g/mol |
| Molecular Formula | C39H64O15 |
| Exact Mass | 772.424521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DUc9CeaosS |
|---|---|
| Name | CANTALASAPONIN-1=3,6-DI-O-[BETA-D-GLUCOPYRANOSYL]-(25R)-5-ALPHA-SPIROSTAN-3-BETA,6-ALPHA,23-ALPHA-TRIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O15 |
| InChI | InChI=1S/C39H64O15/c1-16-9-27(42)39(49-15-16)17(2)28-24(54-39)12-21-19-11-23(51-36-34(48)32(46)30(44)26(14-41)53-36)22-10-18(5-7-37(22,3)20(19)6-8-38(21,28)4)50-35-33(47)31(45)29(43)25(13-40)52-35/h16-36,40-48H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+/m1/s1 |
| InChIKey | JLLFUINRPWOBGS-PNVNKLQISA-N |
| Literature Reference Author | O.P.SATI,G.PANT,K.MIYAHARA,T.KAWASAKI |
| Literature Reference Citation | J.NAT.PROD.,48,395(1985) |
| Literature Reference DOI | 10.1021/np50039a007 |
| Molecular Weight | 772.928 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17040 |