| SpectraBase Spectrum ID |
5sVUTJhFhhV |
| Name |
(3R,4R,5S,6S,9R,11R)-13-Mesyloxymoreli-10(14)-en-1-one |
| Appearance |
White prisms |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O4S |
| InChI |
InChI=1S/C16H24O4S/c1-9-7-12(17)14-10(2)11-5-6-16(3,15(14)13(9)11)8-20-21(4,18)19/h9,11,13-15H,2,5-8H2,1,3-4H3/t9-,11+,13-,14-,15+,16-/m1/s1 |
| InChIKey |
OCPSOIDNFNDDFQ-GIAAPKCTSA-N |
| Instrument Name |
Varian Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c01160 |
| Molecular Weight |
312.424 g/mol |
| Optical Rotation |
[a] = +43 (589 nm), +46 (578 nm), +53 (546 nm), +111.1 (436 nm), +258 (365 nm) (c = 0.7, CHCl3) |
| Reported Formula |
C16H24O4S |
| SMILES |
C1C([C@@]2([C@@]3([C@]([C@@]1(C)[H])([C@](C2=C)(CC[C@]3(C)COS(C)(=O)=O)[H])[H])[H])[H])=O |
| SPLASH |
splash10-0a4l-2901000000-0553e3f3ba6605b60cf6 |
| Source of Spectrum |
G4-84-1094-8 |
| Wiley ID |
1884141 |
