![METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE](/api/spectrum/Bo8FCKyvfCd/structure.png?h=300&w=458 "METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | KMaKtiPmfBN |
|---|---|
| InChI | InChI=1S/C34H57NO11/c1-17(5-8-26(39)35(12-10-27(40)41)16-24-29(42)30(43)31(44)32(45-4)46-24)20-6-7-21-28-22(15-25(38)34(20,21)3)33(2)11-9-19(36)13-18(33)14-23(28)37/h17-25,28-32,36-38,42-44H,5-16H2,1-4H3,(H,40,41)/t17-,18+,19-,20-,21+,22+,23-,24-,25+,28+,29-,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | ZACJJURDEAXLHM-QLYJQHNESA-N |
| Mol Weight | 655.8 g/mol |
| Molecular Formula | C34H57NO11 |
| Exact Mass | 655.393162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bo8FCKyvfCd |
|---|---|
| Name | METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H57NO11 |
| InChI | InChI=1S/C34H57NO11/c1-17(5-8-26(39)35(12-10-27(40)41)16-24-29(42)30(43)31(44)32(45-4)46-24)20-6-7-21-28-22(15-25(38)34(20,21)3)33(2)11-9-19(36)13-18(33)14-23(28)37/h17-25,28-32,36-38,42-44H,5-16H2,1-4H3,(H,40,41)/t17-,18+,19-,20-,21+,22+,23-,24-,25+,28+,29-,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | ZACJJURDEAXLHM-QLYJQHNESA-N |
| Literature Reference Author | M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5357(2006) |
| Molecular Weight | 655.827 g/mol |
| Sample ID | 44679 |
| Solvent | D2O |