![1-BETA,3-BETA,16-BETA-TRIHYDROXY-5-ALPHA-CHOLESTAN-22-ONE-1-O-ALPHA-L-RHAMNOPYRANOSYL-16-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE];#10](/api/spectrum/AYGYJYJ9Q21/structure.png?h=300&w=458 "1-BETA,3-BETA,16-BETA-TRIHYDROXY-5-ALPHA-CHOLESTAN-22-ONE-1-O-ALPHA-L-RHAMNOPYRANOSYL-16-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE];#10")
| SpectraBase Compound ID | BsOSyw9SBYP |
|---|---|
| InChI | InChI=1S/C45H76O17/c1-18(2)8-11-27(48)19(3)31-28(59-43-39(56)40(34(51)29(17-46)60-43)62-42-38(55)36(53)33(50)21(5)58-42)16-26-24-10-9-22-14-23(47)15-30(45(22,7)25(24)12-13-44(26,31)6)61-41-37(54)35(52)32(49)20(4)57-41/h18-26,28-43,46-47,49-56H,8-17H2,1-7H3/t19-,20-,21+,22+,23-,24-,25+,26+,28+,29-,30-,31-,32-,33+,34-,35+,36-,37+,38-,39-,40+,41-,42+,43-,44+,45+/m1/s1 |
| InChIKey | PYRFPVDZSXQNHP-XRXGDRLESA-N |
| Mol Weight | 889.1 g/mol |
| Molecular Formula | C45H76O17 |
| Exact Mass | 888.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYGYJYJ9Q21 |
|---|---|
| Name | 1-BETA,3-BETA,16-BETA-TRIHYDROXY-5-ALPHA-CHOLESTAN-22-ONE-1-O-ALPHA-L-RHAMNOPYRANOSYL-16-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE];#10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O17 |
| InChI | InChI=1S/C45H76O17/c1-18(2)8-11-27(48)19(3)31-28(59-43-39(56)40(34(51)29(17-46)60-43)62-42-38(55)36(53)33(50)21(5)58-42)16-26-24-10-9-22-14-23(47)15-30(45(22,7)25(24)12-13-44(26,31)6)61-41-37(54)35(52)32(49)20(4)57-41/h18-26,28-43,46-47,49-56H,8-17H2,1-7H3/t19-,20-,21+,22+,23-,24-,25+,26+,28+,29-,30-,31-,32-,33+,34-,35+,36-,37+,38-,39-,40+,41-,42+,43-,44+,45+/m1/s1 |
| InChIKey | PYRFPVDZSXQNHP-XRXGDRLESA-N |
| Literature Reference Author | Y.MIMAKI,K.KAWASHIMA,T.KANMOTO,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,34,799(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85362-U |
| Molecular Weight | 889.088 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6691 |