SpectraBase Compound ID | orKFomScF4 |
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InChI | InChI=1S/C45H72O18/c1-19-8-13-44(56-18-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21+,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+/m0/s1 |
InChIKey | CECFADWCOVINPQ-QMSYFXENSA-N |
Mol Weight | 901.1 g/mol |
Molecular Formula | C45H72O18 |
Exact Mass | 900.471865 g/mol |
SpectraBase Spectrum ID | 87dDfqssskv |
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Name | PENNOGENIN-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE] |
Compound Number | 8 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H72O18 |
InChI | InChI=1S/C45H72O18/c1-19-8-13-44(56-18-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21+,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+/m0/s1 |
InChIKey | CECFADWCOVINPQ-QMSYFXENSA-N |
Literature Reference Author | Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
Literature Reference Citation | PHYTOCHEM.,38,1279(1995) |
Literature Reference DOI | 10.1016/0031-9422(94)00790-Z |
Molecular Weight | 901.056 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS3971 |