| SpectraBase Spectrum ID |
8bpWY9wkA8P |
| Name |
Nonanoic acid, 9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-2-butenyl]oxy]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| CAS Registry Number |
40980-52-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O9 |
| InChI |
InChI=1S/C27H46O9/c1-17(14-24(30)34-12-10-8-6-5-7-9-11-23(29)33-4)13-21-26(32)25(31)20(16-35-21)15-22-27(36-22)18(2)19(3)28/h14,18-22,25-28,31-32H,5-13,15-16H2,1-4H3/b17-14+/t18-,19?,20+,21-,22?,25-,26+,27?/m0/s1 |
| InChIKey |
CJKAHSOGVKAYJX-IOTGQGKISA-N |
| Molecular Weight |
514.656 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(=O)OCCCCCCCCC(=O)OC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-004i-0090000000-41ecfcaa85e9654f232e |
| Source of Spectrum |
KC-1982-2832-0 |
| Synonyms |
Epoxide of methyl pseudomonate C
Methyl 9-{[(2E)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoyl]oxy}nonanoate
Methyl isopseudomonate A
Methyl pseudomonate
Pseudomonic acid, methyl ester |
| Wiley ID |
1401096 |
![Nonanoic acid, 9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-2-butenyl]oxy]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/8bpWY9wkA8P/structure.png?h=300&w=458 "Nonanoic acid, 9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-2-butenyl]oxy]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
