| SpectraBase Spectrum ID |
p3yDsDMyNj |
| Name |
2(1H)-Naphthalenone, 1-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]octahydro-5,8A-dimethyl-5-[[(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]-, [1S-(1.alpha.,4A.beta.,5.alpha.,8A.alpha.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
650.293841528 u |
| Formula |
C33H46O13 |
| InChI |
InChI=1S/C33H46O13/c1-18(34)41-16-25-27(43-19(2)35)28(44-20(3)36)29(45-21(4)37)31(46-25)42-17-32(5)13-7-14-33(6)23(24(38)10-11-26(32)33)9-8-22-12-15-40-30(22)39/h12,23,25-29,31H,7-11,13-17H2,1-6H3/t23-,25-,26-,27-,28+,29-,31-,32?,33+/m1/s1 |
| InChIKey |
ZEUHQQOIDWGAFZ-IWFXEYNYSA-N |
| Molecular Weight |
650.718 g/mol |
| SMILES |
[C@@]1([C@]([C@](OCC2([C@@]3([C@@]([C@](CCC=4C(OCC4)=O)(C(CC3)=O)[H])(C)CCC2)[H])C)(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
![2(1H)-Naphthalenone, 1-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]octahydro-5,8a-dimethyl-5-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]-, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-](/api/spectrum/p3yDsDMyNj/structure.png?h=300&w=458 "2(1H)-Naphthalenone, 1-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]octahydro-5,8a-dimethyl-5-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]-, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-")
