| SpectraBase Compound ID | GblbRe15bWj |
|---|---|
| InChI | InChI=1S/C61H95NO24/c1-56(2)19-29-28-13-14-36-58(5)17-16-38(84-54-48(75)45(72)42(69)34(83-54)25-80-53-47(74)44(71)41(68)33(82-53)24-79-52-46(73)40(67)31(65)23-78-52)57(3,4)35(58)15-18-59(36,6)60(28,7)20-37(66)61(29,26-64)21-39(56)85-55-49(76)50(43(70)32(22-63)81-55)86-51(77)27-11-9-10-12-30(27)62-8/h9-13,29,31-50,52-55,62-76H,14-26H2,1-8H3/t29-,31+,32+,33+,34+,35?,36?,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,52-,53+,54-,55-,58-,59+,60+,61+/m0/s1 |
| InChIKey | STSQRDIHBPGFTK-BDNKQGDYSA-N |
| Mol Weight | 1226.4 g/mol |
| Molecular Formula | C61H95NO24 |
| Exact Mass | 1225.624403 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMqBRw0w9KX |
|---|---|
| Name | SITAKISOSIDE_XIII;3-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDO-21-O-3-N-METHYLANTHRANI |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H95NO24 |
| InChI | InChI=1S/C61H95NO24/c1-56(2)19-29-28-13-14-36-58(5)17-16-38(84-54-48(75)45(72)42(69)34(83-54)25-80-53-47(74)44(71)41(68)33(82-53)24-79-52-46(73)40(67)31(65)23-78-52)57(3,4)35(58)15-18-59(36,6)60(28,7)20-37(66)61(29,26-64)21-39(56)85-55-49(76)50(43(70)32(22-63)81-55)86-51(77)27-11-9-10-12-30(27)62-8/h9-13,29,31-50,52-55,62-76H,14-26H2,1-8H3/t29-,31+,32+,33+,34+,35?,36?,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,52-,53+,54-,55-,58-,59+,60+,61+/m0/s1 |
| InChIKey | STSQRDIHBPGFTK-BDNKQGDYSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 1226.418 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22123 |