| SpectraBase Compound ID | AqivURGFPSe |
|---|---|
| InChI | InChI=1S/C54H88O22/c1-23-32(57)35(60)39(64)45(70-23)75-43-27(21-56)72-44(42(67)38(43)63)69-22-28-34(59)37(62)41(66)47(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-46-40(65)36(61)33(58)26(20-55)71-46)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3/t23-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,51+,52-,53-,54+/m1/s1 |
| InChIKey | QSPJXHNFLIWZMQ-ZFCYTTAUSA-N |
| Mol Weight | 1089.3 g/mol |
| Molecular Formula | C54H88O22 |
| Exact Mass | 1088.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lsb5FjGKgsh |
|---|---|
| Name | NIPPONOSIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-OLEANOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O22 |
| InChI | InChI=1S/C54H88O22/c1-23-32(57)35(60)39(64)45(70-23)75-43-27(21-56)72-44(42(67)38(43)63)69-22-28-34(59)37(62)41(66)47(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-46-40(65)36(61)33(58)26(20-55)71-46)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3/t23-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,51+,52-,53-,54+/m1/s1 |
| InChIKey | QSPJXHNFLIWZMQ-ZFCYTTAUSA-N |
| Literature Reference Author | M.MIYAKOSHI,K.SHIRASUNA,Y.HIRAI,K.SHINGU,S.ISODA,J.SHOJI,Y.I DA,T.SHIMIZU |
| Literature Reference Citation | J.NAT.PROD.,62,445(1999) |
| Literature Reference DOI | 10.1021/np9804334 |
| Molecular Weight | 1089.280 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7886 |