| SpectraBase Compound ID | IR3cICsz7ph |
|---|---|
| InChI | InChI=1S/C59H91NO21/c1-29-47(62)52(71-13)48(63)54(75-29)81-51-32(4)74-46(27-41(51)70-12)80-50-31(3)73-45(26-40(50)69-11)79-49-30(2)72-44(25-39(49)68-10)78-36-19-20-55(7)35(24-36)18-21-58(66)42(55)28-43(77-34(6)61)56(8)57(65,22-23-59(56,58)67)33(5)76-53(64)37-16-14-15-17-38(37)60-9/h14-18,29-33,36,39-52,54,60,62-63,65-67H,19-28H2,1-13H3/t29-,30+,31-,32+,33-,36-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49+,50-,51+,52+,54+,55-,56+,57+,58-,59+/m0/s1 |
| InChIKey | JQCIYQHQQOQXAR-CMIWVVFESA-N |
| Mol Weight | 1150.4 g/mol |
| Molecular Formula | C59H91NO21 |
| Exact Mass | 1149.608359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4Sdcd9Ckjg |
|---|---|
| Name | STEPHANOSIDE_A;12-O-ACETYL-20-O-(N-METHYL)-ANTHRANILOYLSARCOSTIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H91NO21 |
| InChI | InChI=1S/C59H91NO21/c1-29-47(62)52(71-13)48(63)54(75-29)81-51-32(4)74-46(27-41(51)70-12)80-50-31(3)73-45(26-40(50)69-11)79-49-30(2)72-44(25-39(49)68-10)78-36-19-20-55(7)35(24-36)18-21-58(66)42(55)28-43(77-34(6)61)56(8)57(65,22-23-59(56,58)67)33(5)76-53(64)37-16-14-15-17-38(37)60-9/h14-18,29-33,36,39-52,54,60,62-63,65-67H,19-28H2,1-13H3/t29-,30+,31-,32+,33-,36-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49+,50-,51+,52+,54+,55-,56+,57+,58-,59+/m0/s1 |
| InChIKey | JQCIYQHQQOQXAR-CMIWVVFESA-N |
| Literature Reference Author | K.YOSHIKAWA,N.OKADA,Y.KANN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1790(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1790 |
| Molecular Weight | 1150.366 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19566 |