| SpectraBase Spectrum ID |
Cl0ED9MfIIW |
| Name |
1H-Tetrazole-1-nonanoic acid, 5-[2-methyl-3-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-1-propenyl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| Alternate Name(s) |
1-(8-Methyoxycarbonyloctyl)-5-normonyl-1H-tetrazole
Methyl 9-{5-[(1E)-2-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]methyl}prop-1-en-1-yl]-1H-1,2,3,4-tetrazol-1-yl}nonanoate |
| CAS Registry Number |
96127-42-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46N4O7 |
| InChI |
InChI=1S/C27H46N4O7/c1-17(14-23-28-29-30-31(23)12-10-8-6-5-7-9-11-24(33)36-4)13-21-26(35)25(34)20(16-37-21)15-22-27(38-22)18(2)19(3)32/h14,18-22,25-27,32,34-35H,5-13,15-16H2,1-4H3/b17-14+/t18-,19?,20+,21+,22?,25-,26+,27?/m0/s1 |
| InChIKey |
ZITWFUDVNKHUHH-BIQIYDGISA-N |
| Molecular Weight |
538.686 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\c1[n](nnn1)CCCCCCCCC(=O)OC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-0006-0091010000-4e87d4c09dc219eec638 |
| Source of Spectrum |
KC-1989-2052-2 |
| Wiley ID |
1404302 |
![1H-Tetrazole-1-nonanoic acid, 5-[2-methyl-3-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-1-propenyl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/Cl0ED9MfIIW/structure.png?h=300&w=458 "1H-Tetrazole-1-nonanoic acid, 5-[2-methyl-3-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-1-propenyl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
