| SpectraBase Spectrum ID |
3yIE5tseJy1 |
| Name |
11-Hydroxy-7H.alpha.,10H.beta.-eremophil-4(15)-ene |
| Alternate Name(s) |
11-O-.beta.-D-(3'-O,4'-O,6'-O-triacetyl)glucopyranoside |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O9 |
| InChI |
InChI=1S/C27H42O9/c1-15-9-8-10-19-11-12-20(13-27(15,19)7)26(5,6)36-25-22(31)24(34-18(4)30)23(33-17(3)29)21(35-25)14-32-16(2)28/h19-25,31H,1,8-14H2,2-7H3/t19-,20-,21-,22-,23-,24-,25+,27-/m1/s1 |
| InChIKey |
WRFCSYVHBATOBX-QEQROKPYSA-N |
| Instrument Name |
Bruker Daltonics Analysis 3.2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0604073 |
| Molecular Weight |
510.624 g/mol |
| Optical Rotation |
[a]D25 = +20.0 (c = 0.20, CHCl3) |
| SMILES |
O[C@]1([C@@](O[C@@]([C@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])(OC([C@]1(C[C@]2([C@@](CC1)(CCCC2=C)[H])C)[H])(C)C)[H])[H] |
| SPLASH |
splash10-0pvi-0690000000-ae776f19d0e2bcf56b78 |
| Source of Spectrum |
G4-69-1828-8 |
| Wiley ID |
1874061 |
