SpectraBase Compound ID | GA7xbdBuxac |
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InChI | InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24?,25-,26-,27?,28?,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51+,52-,53-,54+/m1/s1 |
InChIKey | RJWVNQDEFVAPCR-MAEQZSKYSA-N |
Mol Weight | 1103.3 g/mol |
Molecular Formula | C54H86O23 |
Exact Mass | 1102.555989 g/mol |
SpectraBase Spectrum ID | 5v8cUPfH5MN |
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Name | SCHEFFLERASIDE-II;3-O-BETA-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL]-ESTER |
Compound Number | 143 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H86O23 |
InChI | InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24?,25-,26-,27?,28?,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51+,52-,53-,54+/m1/s1 |
InChIKey | RJWVNQDEFVAPCR-MAEQZSKYSA-N |
Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
Molecular Weight | 1103.263 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1268 |