| SpectraBase Spectrum ID |
KI4x1sdf9EB |
| Name |
(3aR,4R,7R)-Methyl 4-acetoxy-1,4-dimethyl-2-oxooctahydroazulen-7-alpha.-methylacetate |
| Alternate Name(s) |
methyl (2R)-2-[(5R,8R,8aR)-8-(acetyloxy)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]propanoate
Methyl 4-acetoxy-1,4-dimethyl-2-oxooctahydroazulen-7-alpha.-methylacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O5 |
| InChI |
InChI=1S/C18H26O5/c1-10(17(21)22-5)13-6-7-18(4,23-12(3)19)15-9-16(20)11(2)14(15)8-13/h10,13,15H,6-9H2,1-5H3/t10?,13-,15-,18-/m1/s1 |
| InChIKey |
BKZZZBQSPYRPOA-KIAZQQNGSA-N |
| Molecular Weight |
322.401 g/mol |
| SMILES |
C=12[C@]([C@](OC(=O)C)(CC[C@](C2)(C(C(=O)OC)C)[H])C)(CC(C1C)=O)[H] |
| SPLASH |
splash10-03di-0090000000-574a240304ccfa5667fe |
| Source of Spectrum |
AT-32-3416-11 |
| Wiley ID |
836016 |
