| SpectraBase Spectrum ID |
688ox0V0ijo |
| Name |
N-(10-(Methoxycarbonyl)-2-oxodecyl)monamide |
| Alternate Name(s) |
11-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-1-oxobut-2-enyl]amino]-10-oxoundecanoic acid methyl ester
methyl 11-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]amino]-10-oxoundecanoate
methyl 11-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]-10-oxo-undecanoate
methyl 11-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]-10-oxidanylidene-undecanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49NO9 |
| InChI |
InChI=1S/C29H49NO9/c1-18(14-25(33)30-16-22(32)11-9-7-5-6-8-10-12-26(34)37-4)13-23-28(36)27(35)21(17-38-23)15-24-29(39-24)19(2)20(3)31/h14,19-21,23-24,27-29,31,35-36H,5-13,15-17H2,1-4H3,(H,30,33)/b18-14+/t19-,20-,21-,23-,24-,27+,28-,29-/m0/s1 |
| InChIKey |
UFDIUTDIFZGMOB-DSLPLIRBSA-N |
| Molecular Weight |
555.709 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(NCC(=O)CCCCCCCCC(=O)OC)=O)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH |
splash10-03di-0009010000-593b32fc4126a92cbf04 |
| Source of Spectrum |
E1-39-451-3 |
| Wiley ID |
1598691 |
