SpectraBase Compound ID | AL9hrQrwhsA |
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InChI | InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(15-52)19-65-51)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)67-48-44(40(63)42(31(18-55)70-48)71-45-38(61)36(59)34(57)29(16-53)68-45)73-47-41(64)43(33(56)21(2)66-47)72-46-39(62)37(60)35(58)30(17-54)69-46/h5,20-22,24-48,52-64H,6-19H2,1-4H3/t20-,21-,22-,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-,50-,51+/m0/s1 |
InChIKey | PYOWRAQWHADMJZ-PJFNYTJXSA-N |
Mol Weight | 1063.2 g/mol |
Molecular Formula | C51H82O23 |
Exact Mass | 1062.524689 g/mol |
SpectraBase Spectrum ID | EQcDjBlm1WU |
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Name | #8;ISONARTHOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE] |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C51H82O23 |
InChI | InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(15-52)19-65-51)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)67-48-44(40(63)42(31(18-55)70-48)71-45-38(61)36(59)34(57)29(16-53)68-45)73-47-41(64)43(33(56)21(2)66-47)72-46-39(62)37(60)35(58)30(17-54)69-46/h5,20-22,24-48,52-64H,6-19H2,1-4H3/t20-,21-,22-,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-,50-,51+/m0/s1 |
InChIKey | PYOWRAQWHADMJZ-PJFNYTJXSA-N |
Literature Reference Author | Y.MIMAKI,T.SATOU,M.KURODA,Y.SASHIDA,Y.HATAKEYAMA |
Literature Reference Citation | CHEM.PHARM.BULL.,46,1829(1998) |
Literature Reference DOI | 10.1248/cpb.46.1829 |
Molecular Weight | 1063.198 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS20889 |