| SpectraBase Spectrum ID |
1Ad4sFTsEy3 |
| Name |
2',3',4',6'-Tetra-O-acetylmarrubiaside |
| Alternate Name(s) |
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(((4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H46O13 |
| InChI |
InChI=1S/C34H46O13/c1-18-11-13-34(7)24(9-8-10-26(34)33(18,6)14-12-23-15-27(39)42-16-23)31(40)47-32-30(45-22(5)38)29(44-21(4)37)28(43-20(3)36)25(46-32)17-41-19(2)35/h9,15,18,25-26,28-30,32H,8,10-14,16-17H2,1-7H3/t18-,25-,26-,28-,29+,30-,32-,33+,34-/m1/s1 |
| InChIKey |
MLEKGMVTIJZSMC-SIXRXTEUSA-N |
| Molecular Weight |
662.729 g/mol |
| SMILES |
C1C[C@@]2([H])[C@](C)(CC[C@@](C)([C@]2(C)CCC=2COC(=O)C2)[H])C(C(O[C@@]2([C@](OC(C)=O)([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](COC(=O)C)(O2)[H])[H])[H])[H])[H])=O)=C1 |
| SPLASH |
splash10-0159-0904000000-bfba6401efc96ba79c82 |
| Source of Spectrum |
K-106-2938-2 |
| Wiley ID |
1793555 |
