| SpectraBase Spectrum ID |
2CQGaoPsCq8 |
| Name |
Methyl 5.alpha.-hydroxy-3.alpha.,4.alpha.-isopropylidenedioxy-2.beta.-phenylthiocyclohexan-1.beta.-oate |
| Alternate Name(s) |
Methyl (3aR,4R,7R,7aR)-7-hydroxy-2,2-dimethyl-4-(phenylsulfanyl)hexahydro-1,3-benzodioxole-5-carboxylate |
| CAS Registry Number |
130177-67-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O5S |
| InChI |
InChI=1S/C17H22O5S/c1-17(2)21-13-12(18)9-11(16(19)20-3)15(14(13)22-17)23-10-7-5-4-6-8-10/h4-8,11-15,18H,9H2,1-3H3/t11?,12-,13-,14-,15-/m1/s1 |
| InChIKey |
GMEPQVXWRXHFDN-XSISWNRUSA-N |
| Molecular Weight |
338.418 g/mol |
| SMILES |
O[C@@]1(CC([C@]([C@]2([C@@]1(OC(O2)(C)C)[H])[H])(Sc1ccccc1)[H])C(=O)OC)[H] |
| SPLASH |
splash10-0079-0609000000-14a993e0c702fae97c8b |
| Source of Spectrum |
F-46-3988-15 |
| Wiley ID |
1333578 |
