| SpectraBase Spectrum ID |
KEe6iutLDGM |
| Name |
(4R,4aR,5S,6S,7S,8aR)-4-acetyl-5-benzoxy-7-hydroxy-6-methyl-decalin-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-12-18(23)9-15-8-16(22)10-17(13(2)21)19(15)20(12)24-11-14-6-4-3-5-7-14/h3-7,12,15,17-20,23H,8-11H2,1-2H3/t12-,15-,17-,18-,19+,20+/m0/s1 |
| InChIKey |
YTTCHRCPPISRQC-DDTZIBHOSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
O[C@@]1([C@@]([C@]([C@]2([C@](C(=O)C)(CC(C[C@@]2([H])C1)=O)[H])[H])(OCc1ccccc1)[H])(C)[H])[H] |
| SPLASH |
splash10-001i-0009000000-ef16be4d0dde3ea23e4e |
| Source of Spectrum |
F-56-2012-17 |
| Synonyms |
(4R,4aR,5S,6S,7S,8aR)-4-acetyl-5-benzyloxy-7-hydroxy-6-methyl-decalin-2-one
(4R,4aR,5S,6S,7S,8aR)-4-acetyl-7-hydroxy-6-methyl-5-phenylmethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
(4R,4aR,5S,6S,7S,8aR)-4-ethanoyl-6-methyl-7-oxidanyl-5-phenylmethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one |
| Wiley ID |
856239 |
