![(5-CHOLESTEN-3-BETA-YL)-4-OXO-4-[2-(LACTOBIONYLAMIDO)-ETHYLAMIDO]-BUTANOATE](/api/spectrum/1KxUUVEvL9n/structure.png?h=300&w=458 "(5-CHOLESTEN-3-BETA-YL)-4-OXO-4-[2-(LACTOBIONYLAMIDO)-ETHYLAMIDO]-BUTANOATE")
| SpectraBase Compound ID | G6pxaFE4IBT |
|---|---|
| InChI | InChI=1S/C45H76N2O14/c1-24(2)7-6-8-25(3)29-11-12-30-28-10-9-26-21-27(15-17-44(26,4)31(28)16-18-45(29,30)5)59-35(52)14-13-34(51)46-19-20-47-42(58)39(56)38(55)41(32(50)22-48)61-43-40(57)37(54)36(53)33(23-49)60-43/h9,24-25,27-33,36-41,43,48-50,53-57H,6-8,10-23H2,1-5H3,(H,46,51)(H,47,58)/t25-,27+,28+,29-,30+,31+,32?,33+,36-,37-,38?,39?,40+,41?,43-,44+,45-/m1/s1 |
| InChIKey | OOKHNZJABLNARE-WIWNERONSA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C45H76N2O14 |
| Exact Mass | 868.529655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KxUUVEvL9n |
|---|---|
| Name | (5-CHOLESTEN-3-BETA-YL)-4-OXO-4-[2-(LACTOBIONYLAMIDO)-ETHYLAMIDO]-BUTANOATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76N2O14 |
| InChI | InChI=1S/C45H76N2O14/c1-24(2)7-6-8-25(3)29-11-12-30-28-10-9-26-21-27(15-17-44(26,4)31(28)16-18-45(29,30)5)59-35(52)14-13-34(51)46-19-20-47-42(58)39(56)38(55)41(32(50)22-48)61-43-40(57)37(54)36(53)33(23-49)60-43/h9,24-25,27-33,36-41,43,48-50,53-57H,6-8,10-23H2,1-5H3,(H,46,51)(H,47,58)/t25-,27+,28+,29-,30+,31+,32?,33+,36-,37-,38?,39?,40+,41?,43-,44+,45-/m1/s1 |
| InChIKey | OOKHNZJABLNARE-WIWNERONSA-N |
| Literature Reference Author | S.N.WANG,Y.K.QIU,H.XU,Y.H.DENG,D.W.CHEN |
| Literature Reference Citation | CHIN.CHEM.LETT.,17,173(2006) |
| Molecular Weight | 869.103 g/mol |
| Sample ID | 35807 |
| Solvent | C5D5N |