SpectraBase Compound ID | 7wfL1o2AJhd |
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InChI | InChI=1S/C53H88O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h23-46,54-66H,8-22H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52+,53-/m0/s1 |
InChIKey | LTTSWSWZQNISIB-LLEYBADXSA-N |
Mol Weight | 1077.3 g/mol |
Molecular Formula | C53H88O22 |
Exact Mass | 1076.576724 g/mol |
SpectraBase Spectrum ID | 1OR1zuMASkQ |
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Name | ARDISICRENOSIDE-A;#1;3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL]-13-BETA,28 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H88O22 |
InChI | InChI=1S/C53H88O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h23-46,54-66H,8-22H2,1-7H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52+,53-/m0/s1 |
InChIKey | LTTSWSWZQNISIB-LLEYBADXSA-N |
Literature Reference Author | Z.JIA,K.KOIKE,T.OHMOTO,M.NI |
Literature Reference Citation | PHYTOCHEM.,37,1389(1994) |
Literature Reference DOI | 10.1016/S0031-9422(00)90418-7 |
Molecular Weight | 1077.269 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS23575 |