| SpectraBase Compound ID | ITsjHOknyjB |
|---|---|
| InChI | InChI=1S/C37H60O12/c1-18(2)6-9-25(39)19(3)37(45)28(48-34-31(44)32(27(41)17-47-34)49-33-30(43)29(42)26(40)16-46-33)15-24-22-8-7-20-14-21(38)10-12-35(20,4)23(22)11-13-36(24,37)5/h7,18-19,21-24,26-34,38,40-45H,6,8-17H2,1-5H3/t19-,21-,22+,23-,24-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37+/m0/s1 |
| InChIKey | NBDNCFSGTFOYKR-XYBYZBNASA-N |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C37H60O12 |
| Exact Mass | 696.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ttQRrYAKOz |
|---|---|
| Name | 3-BETA,16-BETA,17-ALPHA-TRIHYDROXYCHOLEST-5-EN-22-ONE-16-O-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O12 |
| InChI | InChI=1S/C37H60O12/c1-18(2)6-9-25(39)19(3)37(45)28(48-34-31(44)32(27(41)17-47-34)49-33-30(43)29(42)26(40)16-46-33)15-24-22-8-7-20-14-21(38)10-12-35(20,4)23(22)11-13-36(24,37)5/h7,18-19,21-24,26-34,38,40-45H,6,8-17H2,1-5H3/t19-,21-,22+,23-,24-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37+/m0/s1 |
| InChIKey | NBDNCFSGTFOYKR-XYBYZBNASA-N |
| Literature Reference Author | S.KUBO,Y.MIMAKI,M.TERAO,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,31,3969(1992) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97565-4 |
| Molecular Weight | 696.876 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28858 |