![3,3'-O-(1,16-HEXADECAMETHYLENE)-2,2'-DI-O-[(R)-3,7-DIMETHYLOCTYL]-1-O-(BETA-D-GALACTOFURANOSYL)-1'-O-(BETA-LACTOSYL)-SN-DIGLYCEROL](/api/spectrum/BTopxiW6eQH/structure.png?h=300&w=458 "3,3'-O-(1,16-HEXADECAMETHYLENE)-2,2'-DI-O-[(R)-3,7-DIMETHYLOCTYL]-1-O-(BETA-D-GALACTOFURANOSYL)-1'-O-(BETA-LACTOSYL)-SN-DIGLYCEROL")
| SpectraBase Compound ID | L81dDHr39Y |
|---|---|
| InChI | InChI=1S/C60H114O21/c1-40-21-19-23-42(3)27-31-74-44(38-76-58-55(71)52(68)57(48(35-63)79-58)81-60-53(69)50(66)49(65)47(34-62)78-60)36-72-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-73-37-45(75-32-28-43(4)24-20-22-41(2)26-25-40)39-77-59-54(70)51(67)56(80-59)46(64)33-61/h40-71H,5-39H2,1-4H3/t40?,41?,42-,43+,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54-,55+,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | ARYAIIMMIRRARJ-MJUDBVKYSA-N |
| Mol Weight | 1171.6 g/mol |
| Molecular Formula | C60H114O21 |
| Exact Mass | 1170.785261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTopxiW6eQH |
|---|---|
| Name | 3,3'-O-(1,16-HEXADECAMETHYLENE)-2,2'-DI-O-[(R)-3,7-DIMETHYLOCTYL]-1-O-(BETA-D-GALACTOFURANOSYL)-1'-O-(BETA-LACTOSYL)-SN-DIGLYCEROL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H114O21 |
| InChI | InChI=1S/C60H114O21/c1-40-21-19-23-42(3)27-31-74-44(38-76-58-55(71)52(68)57(48(35-63)79-58)81-60-53(69)50(66)49(65)47(34-62)78-60)36-72-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-73-37-45(75-32-28-43(4)24-20-22-41(2)26-25-40)39-77-59-54(70)51(67)56(80-59)46(64)33-61/h40-71H,5-39H2,1-4H3/t40?,41?,42-,43+,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54-,55+,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | ARYAIIMMIRRARJ-MJUDBVKYSA-N |
| Literature Reference Author | G.LECOLLINET,R.AUZELY-VELTY,M.DANEL,T.BENVEGNU,G.MACKENZIE,J .W.GOODBY,D.PLUSQUEL |
| Literature Reference Citation | J.ORG.CHEM.,64,3139(1999) |
| Literature Reference DOI | 10.1021/jo9822028 |
| Molecular Weight | 1171.553 g/mol |
| Sample ID | 58642 |
| Solvent | CD3OD |