| SpectraBase Compound ID | Edf4hkwbNtK |
|---|---|
| InChI | InChI=1S/C63H91NO22/c1-32-53(84-48-29-43(75-8)54(33(2)78-48)85-59-52(70)56(76-9)55(34(3)79-59)86-58-51(69)50(68)49(67)44(31-65)82-58)42(74-7)28-47(77-32)81-39-21-22-60(5)38(26-39)18-19-40-41(60)27-45(83-46(66)20-17-36-14-11-10-12-15-36)61(6)62(72,23-24-63(40,61)73)35(4)80-57(71)37-16-13-25-64-30-37/h10-17,20,25,30,32-35,38-45,47-56,58-59,65,67-70,72-73H,18-19,21-24,26-29,31H2,1-9H3/b20-17+/t32-,33+,34-,35-,38+,39+,40?,41?,42+,43-,44-,45-,47+,48-,49+,50-,51+,52-,53-,54+,55-,56-,58-,59+,60+,61-,62-,63+/m1/s1 |
| InChIKey | TZCBQXDCYJMOEP-HYJASLBPSA-N |
| Mol Weight | 1214.4 g/mol |
| Molecular Formula | C63H91NO22 |
| Exact Mass | 1213.603274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kn4FbGTwh9w |
|---|---|
| Name | MARSTOMENTOSIDE-T;TOMENTOMIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H91NO22 |
| InChI | InChI=1S/C63H91NO22/c1-32-53(84-48-29-43(75-8)54(33(2)78-48)85-59-52(70)56(76-9)55(34(3)79-59)86-58-51(69)50(68)49(67)44(31-65)82-58)42(74-7)28-47(77-32)81-39-21-22-60(5)38(26-39)18-19-40-41(60)27-45(83-46(66)20-17-36-14-11-10-12-15-36)61(6)62(72,23-24-63(40,61)73)35(4)80-57(71)37-16-13-25-64-30-37/h10-17,20,25,30,32-35,38-45,47-56,58-59,65,67-70,72-73H,18-19,21-24,26-29,31H2,1-9H3/b20-17+/t32-,33+,34-,35-,38+,39+,40?,41?,42+,43-,44-,45-,47+,48-,49+,50-,51+,52-,53-,54+,55-,56-,58-,59+,60+,61-,62-,63+/m1/s1 |
| InChIKey | TZCBQXDCYJMOEP-HYJASLBPSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,154(2000) |
| Literature Reference DOI | 10.1248/cpb.48.154 |
| Molecular Weight | 1214.409 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4890 |