| SpectraBase Spectrum ID |
A3AvWHpf5Bx |
| Name |
(1S,4S,5S,6R,7S,10S,11R)-1,4-dihydroxy-2-oxo-5-angeloxyxanthan-6,12-olide |
| CAS Registry Number |
94137-89-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O7 |
| InChI |
InChI=1S/C20H30O7/c1-6-10(2)18(23)27-17-16-14(13(5)19(24)26-16)8-7-11(3)20(17,25)15(22)9-12(4)21/h6,11-14,16-17,21,25H,7-9H2,1-5H3/b10-6+/t11-,12-,13+,14?,16+,17-,20-/m0/s1 |
| InChIKey |
BBAISYCWVQINOR-OFPDKNHKSA-N |
| Molecular Weight |
382.453 g/mol |
| SMILES |
O[C@](CC([C@@]1([C@]([C@@]2(OC(=O)[C@@](C2CC[C@@]1(C)[H])(C)[H])[H])(OC(\C(=C\C)C)=O)[H])O)=O)(C)[H] |
| SPLASH |
splash10-053s-9022000000-46021dd0606ba3556bdc |
| Source of Spectrum |
J-50-617-12 |
| Synonyms |
(3R,6S,7R,8S,8aR)-7-hydroxy-7-[(3S)-3-hydroxybutanoyl]-3,6-dimethyl-2-oxooctahydro-2H-cyclohepta[b]furan-8-yl (2E)-2-methyl-2-butenoate |
| Wiley ID |
1360509 |
