| SpectraBase Compound ID | 9oHHYqDKIAZ |
|---|---|
| InChI | InChI=1S/C31H46O12/c1-16-5-8-21-30(2,18(16)7-6-17-9-12-39-14-17)10-4-11-31(21,3)29(38)43-28-26(24(36)23(35)20(13-32)41-28)42-27-25(37)22(34)19(33)15-40-27/h9,12,14,19-28,32-37H,4-8,10-11,13,15H2,1-3H3/t19-,20-,21?,22+,23-,24+,25-,26-,27+,28+,30+,31-/m0/s1 |
| InChIKey | MGFWZULLFYLVNO-GOOSTPRCSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C31H46O12 |
| Exact Mass | 610.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AlJhBPRIst |
|---|---|
| Name | PHLOMISOSIDE-III;15,16-EPOXY-8,13(16),14-LABDATRIEN-19-OIC-ACID-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O12 |
| InChI | InChI=1S/C31H46O12/c1-16-5-8-21-30(2,18(16)7-6-17-9-12-39-14-17)10-4-11-31(21,3)29(38)43-28-26(24(36)23(35)20(13-32)41-28)42-27-25(37)22(34)19(33)15-40-27/h9,12,14,19-28,32-37H,4-8,10-11,13,15H2,1-3H3/t19-,20-,21?,22+,23-,24+,25-,26-,27+,28+,30+,31-/m0/s1 |
| InChIKey | MGFWZULLFYLVNO-GOOSTPRCSA-N |
| Literature Reference Author | M.KATAGIRI,K.OHTANI,R.KASAI,K.YAMASAKI,C.R.YANG,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,35,439(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94777-0 |
| Molecular Weight | 610.699 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI21285 |