| SpectraBase Spectrum ID |
J2yNjZf3CxJ |
| Name |
tert-Butyl 4-{5(S)-[5(S)-hydroxy-4(R)-methylhex-2(E)-enyl]-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-2(S)-yl}-3-methyl-2(E)-butenoate |
| Alternate Name(s) |
tert-Butyl (2E)-4-[(3aS,4S,7S,7aR)-7-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]-3-methylbut-2-enoate |
| CAS Registry Number |
100703-63-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O6 |
| InChI |
InChI=1S/C27H44O6/c1-18(16-23(29)31-26(4,5)6)15-22-25-24(32-27(33-25)13-8-7-9-14-27)21(17-30-22)12-10-11-19(2)20(3)28/h10-11,16,19-22,24-25,28H,7-9,12-15,17H2,1-6H3/b11-10+,18-16+/t19-,20+,21+,22+,24-,25+/m1/s1 |
| InChIKey |
SZNFPQGUISUNFV-YAYWDVCSSA-N |
| Molecular Weight |
464.643 g/mol |
| SMILES |
O[C@]([C@@](\C=C\C[C@@]1([C@@]2([C@@](OC3(CCCCC3)O2)([C@@](OC1)(C\C(=C\C(OC(C)(C)C)=O)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH |
splash10-0bt9-5004900000-f5b85c4ad6c0409e5954 |
| Source of Spectrum |
J-53-5920-58 |
| Wiley ID |
1391546 |
![tert-Butyl 4-{5(S)-[5(S)-hydroxy-4(R)-methylhex-2(E)-enyl]-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-2(S)-yl}-3-methyl-2(E)-butenoate](/api/spectrum/J2yNjZf3CxJ/structure.png?h=300&w=458 "tert-Butyl 4-{5(S)-[5(S)-hydroxy-4(R)-methylhex-2(E)-enyl]-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-2(S)-yl}-3-methyl-2(E)-butenoate")
