![BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-4-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE]](/api/spectrum/8QZZUILQVtT/structure.png?h=300&w=458 "BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-4-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE]")
| SpectraBase Compound ID | Cris0hFUT65 |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-19-10-13-46(56-17-19)20(2)32-29(63-46)16-28-26-9-8-24-14-25(48)15-31(45(24,7)27(26)11-12-44(28,32)6)60-43-40(62-42-38(54)36(52)34(50)22(4)58-42)39(30(18-55-43)59-23(5)47)61-41-37(53)35(51)33(49)21(3)57-41/h19-22,24-43,48-54H,8-18H2,1-7H3/t19-,20-,21+,22+,24-,25+,26?,27?,28?,29?,30+,31+,32?,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-,46+/m0/s1 |
| InChIKey | PUXLXCGFLAWTHU-ICKZOSDYSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QZZUILQVtT |
|---|---|
| Name | BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-4-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-19-10-13-46(56-17-19)20(2)32-29(63-46)16-28-26-9-8-24-14-25(48)15-31(45(24,7)27(26)11-12-44(28,32)6)60-43-40(62-42-38(54)36(52)34(50)22(4)58-42)39(30(18-55-43)59-23(5)47)61-41-37(53)35(51)33(49)21(3)57-41/h19-22,24-43,48-54H,8-18H2,1-7H3/t19-,20-,21+,22+,24-,25+,26?,27?,28?,29?,30+,31+,32?,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-,46+/m0/s1 |
| InChIKey | PUXLXCGFLAWTHU-ICKZOSDYSA-N |
| Literature Reference Author | T.INOUE,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,39,1103(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00117-P |
| Molecular Weight | 899.083 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9060 |