| SpectraBase Compound ID | 8i3RQaUtXfy |
|---|---|
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25+,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,55+,56+,57-,58-,59+/m1/s1 |
| InChIKey | RYHDIBJJJRNDSX-WWCJHAEOSA-N |
| Mol Weight | 1221.4 g/mol |
| Molecular Formula | C59H96O26 |
| Exact Mass | 1220.618983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A97r1aTVkbE |
|---|---|
| Name | PERICARSAPONIN-PK |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O26 |
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25+,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,55+,56+,57-,58-,59+/m1/s1 |
| InChIKey | RYHDIBJJJRNDSX-WWCJHAEOSA-N |
| Literature Reference Author | M.OKAWA,R.YAMAGUCHI,H.DELGER,R.TSUCHIHASHI,T.NOHARA,J.KINJO, S.ISODA,Y.IDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1097(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1097 |
| Molecular Weight | 1221.396 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6678 |