![ASTERIACEREBROSIDE_G;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-S,4-R,13-Z)-2-[(2'-R)-2-HYDROXYTETRADECANOYLAMINO]-1,3-DIHYDROXY-4,13-DOCOSADIENE](/api/spectrum/4aow8NXBJqh/structure.png?h=300&w=458 "ASTERIACEREBROSIDE_G;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-S,4-R,13-Z)-2-[(2'-R)-2-HYDROXYTETRADECANOYLAMINO]-1,3-DIHYDROXY-4,13-DOCOSADIENE")
| SpectraBase Compound ID | Ak7wm42umEl |
|---|---|
| InChI | InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-14-12-10-8-6-4-2/h16-17,28,30,34-40,42,44-49H,3-15,18-27,29,31-33H2,1-2H3,(H,43,50)/b17-16-,30-28+/t34-,35+,36-,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | MOQQBSZILUXXBS-HFEGIHGZSA-N |
| Mol Weight | 742.1 g/mol |
| Molecular Formula | C42H79NO9 |
| Exact Mass | 741.575483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aow8NXBJqh |
|---|---|
| Name | ASTERIACEREBROSIDE_G;1-O-(BETA-D-GLUCOPYRANOSYL)-(2-S,3-S,4-R,13-Z)-2-[(2'-R)-2-HYDROXYTETRADECANOYLAMINO]-1,3-DIHYDROXY-4,13-DOCOSADIENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H79NO9 |
| InChI | InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-14-12-10-8-6-4-2/h16-17,28,30,34-40,42,44-49H,3-15,18-27,29,31-33H2,1-2H3,(H,43,50)/b17-16-,30-28+/t34-,35+,36-,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | MOQQBSZILUXXBS-HFEGIHGZSA-N |
| Literature Reference Author | T.ISHII,T.OKINO,Y.MINO |
| Literature Reference Citation | J.NAT.PROD.,69,1080(2006) |
| Literature Reference DOI | 10.1021/np050530e |
| Molecular Weight | 742.091 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19006 |