| SpectraBase Spectrum ID |
44opJAGv10z |
| Name |
4.beta.,8.alpha.-Dihydroxy-5.beta.-(2-methylbutyryloxy)-9.beta.-(3-methylbutyryloxy)-3-oxo-germacran-7.beta.,12.alpha.-olide |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O9 |
| InChI |
InChI=1S/C25H38O9/c1-8-13(4)23(29)34-22-21-18(15(6)24(30)33-21)19(28)20(32-17(27)11-12(2)3)14(5)9-10-16(26)25(22,7)31/h12-14,18-22,28,31H,6,8-11H2,1-5,7H3/t13?,14-,18-,19-,20-,21+,22-,25+/m1/s1 |
| InChIKey |
YRYNHYDOFQYDHO-QJDGEESOSA-N |
| Instrument Name |
HP5988 AGCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0700570 |
| Molecular Weight |
482.570 g/mol |
| Optical Rotation |
[a]D20 = -94.0 (c = 0.50, CHCl3) |
| Reported Formula |
C25H38O9 |
| SMILES |
O[C@@]1([C@@]2([C@@]([C@]([C@](C(CC[C@]([C@]1(OC(CC(C)C)=O)[H])(C)[H])=O)(O)C)(OC(C(CC)C)=O)[H])(OC(C2=C)=O)[H])[H])[H] |
| SPLASH |
splash10-0gdl-1950000000-cd276eb8e85d1ecbd88b |
| Source of Spectrum |
G4-70-834-6 |
| Wiley ID |
1874508 |
