SpectraBase Compound ID | 6Nlk2JUrSq2 |
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InChI | InChI=1S/C49H76O22/c1-17-14-64-49(42(61)39(17)68-44-37(59)34(56)31(53)19(3)65-44)18(2)30-28(71-49)13-25-23-8-7-21-11-22(50)12-29(48(21,6)24(23)9-10-47(25,30)5)67-46-41(70-45-38(60)35(57)32(54)20(4)66-45)40(27(52)16-63-46)69-43-36(58)33(55)26(51)15-62-43/h7,18-20,22-46,50-61H,1,8-16H2,2-6H3/t18-,19-,20+,22+,23+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33-,34+,35-,36+,37-,38-,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-/m0/s1 |
InChIKey | AKGHJFAKCMUFST-KENRKYNXSA-N |
Mol Weight | 1017.1 g/mol |
Molecular Formula | C49H76O22 |
Exact Mass | 1016.482824 g/mol |
SpectraBase Spectrum ID | 2HFJAH2VynH |
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Name | (23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALPHA-L-ARABINO |
Compound Number | 8A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C49H76O22 |
InChI | InChI=1S/C49H76O22/c1-17-14-64-49(42(61)39(17)68-44-37(59)34(56)31(53)19(3)65-44)18(2)30-28(71-49)13-25-23-8-7-21-11-22(50)12-29(48(21,6)24(23)9-10-47(25,30)5)67-46-41(70-45-38(60)35(57)32(54)20(4)66-45)40(27(52)16-63-46)69-43-36(58)33(55)26(51)15-62-43/h7,18-20,22-46,50-61H,1,8-16H2,2-6H3/t18-,19-,20+,22+,23+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33-,34+,35-,36+,37-,38-,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-/m0/s1 |
InChIKey | AKGHJFAKCMUFST-KENRKYNXSA-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 | 1017.129 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS2426 |