| SpectraBase Spectrum ID |
G8SdW0xyNaQ |
| Name |
(E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one |
| Alternate Name(s) |
(E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-methyl-oct-2-en-4-one
(E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-2-methyl-2-octen-4-one
(E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyloct-2-en-4-one |
| CAS Registry Number |
79959-70-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O6 |
| InChI |
InChI=1S/C21H36O6/c1-5-6-7-16(23)8-12(2)9-17-20(25)19(24)15(11-26-17)10-18-21(27-18)13(3)14(4)22/h8,13-15,17-22,24-25H,5-7,9-11H2,1-4H3/b12-8+/t13-,14-,15-,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey |
AJXWTFCXNYMYNC-IPQKHJCMSA-N |
| Molecular Weight |
384.513 g/mol |
| SMILES |
O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(=O)CCCC)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH |
splash10-0f9i-8590000000-adb5e2632096fc946223 |
| Source of Spectrum |
KC-1982-733-0 |
| Wiley ID |
1361584 |
![(E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one](/api/spectrum/G8SdW0xyNaQ/structure.png?h=300&w=458 "(E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one")
