| SpectraBase Compound ID | 6wcDZKSu9SX |
|---|---|
| InChI | InChI=1S/C51H76O16/c1-26(60-30(5)52)34-19-21-51(56)35-17-16-32-22-33(18-20-49(32,6)36(35)23-39(50(34,51)7)65-47(55)31-14-12-11-13-15-31)64-40-24-37(57-8)44(28(3)61-40)66-41-25-38(58-9)45(29(4)62-41)67-48-43(54)46(59-10)42(53)27(2)63-48/h11-16,26-29,33-46,48,53-54,56H,17-25H2,1-10H3/t26-,27-,28-,29+,33+,34-,35?,36?,37+,38+,39-,40+,41-,42-,43-,44-,45+,46-,48+,49+,50+,51+/m1/s1 |
| InChIKey | AVAZXIOSUORKOF-ILWBSPBOSA-N |
| Mol Weight | 945.2 g/mol |
| Molecular Formula | C51H76O16 |
| Exact Mass | 944.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQLLRrumv0 |
|---|---|
| Name | BOUCEROSIDE_BDO;12-O-BENZOYL-20-O-ACETYL_BOUCERIN_3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)- |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76O16 |
| InChI | InChI=1S/C51H76O16/c1-26(60-30(5)52)34-19-21-51(56)35-17-16-32-22-33(18-20-49(32,6)36(35)23-39(50(34,51)7)65-47(55)31-14-12-11-13-15-31)64-40-24-37(57-8)44(28(3)61-40)66-41-25-38(58-9)45(29(4)62-41)67-48-43(54)46(59-10)42(53)27(2)63-48/h11-16,26-29,33-46,48,53-54,56H,17-25H2,1-10H3/t26-,27-,28-,29+,33+,34-,35?,36?,37+,38+,39-,40+,41-,42-,43-,44-,45+,46-,48+,49+,50+,51+/m1/s1 |
| InChIKey | AVAZXIOSUORKOF-ILWBSPBOSA-N |
| Literature Reference Author | T.TANAKA,S.TSUKAMOTO,K.HAYASHI |
| Literature Reference Citation | PHYTOCHEM.,29,229(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89040-G |
| Molecular Weight | 945.155 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25521 |