| SpectraBase Spectrum ID |
D2XTsf06OnT |
| Name |
2-Propenoic acid, 3-[octahydro-7'a-(methoxymethyl)-2',5,5-trimethyl-1'-oxo-3'-(phenylthio)spiro[1,3-dioxane-2,5'-[5H]isoindol]-7'-yl]-, ethyl ester, [3'.alpha.,3'a.alpha.,7'.beta.(E),7'a.alpha.]-(.+-.)- |
| CAS Registry Number |
117897-41-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H37NO6S |
| InChI |
InChI=1S/C27H37NO6S/c1-6-32-22(29)13-12-19-14-26(33-16-25(2,3)17-34-26)15-21-23(35-20-10-8-7-9-11-20)28(4)24(30)27(19,21)18-31-5/h7-13,19,21,23H,6,14-18H2,1-5H3/b13-12+/t19-,21-,23-,27-/m0/s1 |
| InChIKey |
VHMUEJIHCOERNL-MLCCVHOOSA-N |
| Molecular Weight |
503.654 g/mol |
| SMILES |
[C@@]12(C(N(C)[C@]([C@@]2(CC2(C[C@@]1(\C=C\C(=O)OCC)[H])OCC(CO2)(C)C)[H])(Sc1ccccc1)[H])=O)COC |
| SPLASH |
splash10-03di-0931000000-dfec34bfcf844e0fa0d7 |
| Source of Spectrum |
J-54-288-35 |
| Synonyms |
Spiro[1,3-dioxane-2,5'-[5H]isoindole], 2-propenoic acid deriv.
(3'.alpha.,3'a.alpha.,7'.beta.(E),7'a.alpha.)-(+,-)-ethyl 3-[octahydro-7'a-(methoxymethyl)-2',5,5-trimethyl-1'-oxo-3'-(phenylthio)spiro[1,3-dioxane-2,5'-[5H]isoindol]-7'-yl]-2-propenoate
Ethyl (2E)-3-[(3'S,3'aR,7'R,7'aS)-7'a-(methoxymethyl)-2',5,5-trimethyl-1'-oxo-3'-(phenylsulfanyl)-octahydrospiro[1,3-dioxane-2,5'-isoindole]-7'-yl]prop-2-enoate |
| Wiley ID |
1399397 |
![2-Propenoic acid, 3-[octahydro-7'a-(methoxymethyl)-2',5,5-trimethyl-1'-oxo-3'-(phenylthio)spiro[1,3-dioxane-2,5'-[5H]isoindol]-7'-yl]-, ethyl ester, [3'.alpha.,3'a.alpha.,7'.beta.(E),7'a.alpha.]-(.+-.)-](/api/spectrum/D2XTsf06OnT/structure.png?h=300&w=458 "2-Propenoic acid, 3-[octahydro-7'a-(methoxymethyl)-2',5,5-trimethyl-1'-oxo-3'-(phenylthio)spiro[1,3-dioxane-2,5'-[5H]isoindol]-7'-yl]-, ethyl ester, [3'.alpha.,3'a.alpha.,7'.beta.(E),7'a.alpha.]-(.+-.)-")
