| SpectraBase Compound ID | D4KP3S9QUL5 |
|---|---|
| InChI | InChI=1S/C55H90O21/c1-25(56)46-34(58)24-55(62)53(46,8)40(59)23-39-52(7)15-14-32(17-31(52)13-16-54(39,55)61)72-41-18-33(57)48(27(3)68-41)73-43-20-36(64-10)50(28(4)69-43)75-45-22-38(66-12)51(30(6)71-45)76-44-21-37(65-11)49(29(5)70-44)74-42-19-35(63-9)47(60)26(2)67-42/h13,26-30,32-51,57-62H,14-24H2,1-12H3/t26-,27+,28+,29+,30-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,43-,44-,45+,46+,47-,48+,49+,50+,51-,52+,53-,54+,55-/m1/s1 |
| InChIKey | RDGUHNUQVAURIU-UKFJIPNKSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C55H90O21 |
| Exact Mass | 1086.59746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vwCjgMzWOV |
|---|---|
| Name | 16-ALPHA-HYDROXYISOLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEAND |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H90O21 |
| InChI | InChI=1S/C55H90O21/c1-25(56)46-34(58)24-55(62)53(46,8)40(59)23-39-52(7)15-14-32(17-31(52)13-16-54(39,55)61)72-41-18-33(57)48(27(3)68-41)73-43-20-36(64-10)50(28(4)69-43)75-45-22-38(66-12)51(30(6)71-45)76-44-21-37(65-11)49(29(5)70-44)74-42-19-35(63-9)47(60)26(2)67-42/h13,26-30,32-51,57-62H,14-24H2,1-12H3/t26-,27+,28+,29+,30-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,43-,44-,45+,46+,47-,48+,49+,50+,51-,52+,53-,54+,55-/m1/s1 |
| InChIKey | RDGUHNUQVAURIU-UKFJIPNKSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 1087.307 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4820 |