| SpectraBase Compound ID | LEnO35oBVUq |
|---|---|
| InChI | InChI=1S/C55H82O26/c1-20-17-71-55(48(68)42(20)78-50-41(67)39(65)38(64)34(16-56)76-50)21(2)36-33(81-55)15-30-28-10-9-26-13-27(60)14-35(54(26,8)29(28)11-12-53(30,36)7)77-51-46(44(32(62)19-70-51)79-49-40(66)37(63)31(61)18-69-49)80-52-47(75-25(6)59)45(74-24(5)58)43(22(3)72-52)73-23(4)57/h9,21-22,27-52,56,60-68H,1,10-19H2,2-8H3/t21-,22+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-,50+,51+,52+,53-,54-,55?/m0/s1 |
| InChIKey | YKUCPUKCKQHUMU-LJUIOWKXSA-N |
| Mol Weight | 1159.2 g/mol |
| Molecular Formula | C55H82O26 |
| Exact Mass | 1158.509433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wPDk6IAyzE |
|---|---|
| Name | (23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(2,3,4-O-TRIACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1- |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H82O26 |
| InChI | InChI=1S/C55H82O26/c1-20-17-71-55(48(68)42(20)78-50-41(67)39(65)38(64)34(16-56)76-50)21(2)36-33(81-55)15-30-28-10-9-26-13-27(60)14-35(54(26,8)29(28)11-12-53(30,36)7)77-51-46(44(32(62)19-70-51)79-49-40(66)37(63)31(61)18-69-49)80-52-47(75-25(6)59)45(74-24(5)58)43(22(3)72-52)73-23(4)57/h9,21-22,27-52,56,60-68H,1,10-19H2,2-8H3/t21-,22+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-,50+,51+,52+,53-,54-,55?/m0/s1 |
| InChIKey | YKUCPUKCKQHUMU-LJUIOWKXSA-N |
| Literature Reference Author | Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,43,1325(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00397-4 |
| Molecular Weight | 1159.240 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2430 |