| SpectraBase Compound ID | O8Qzdv2QLm |
|---|---|
| InChI | InChI=1S/C69H104O27/c1-14-34(2)61(76)89-39(7)67(78)26-27-69(80)65(67,9)47(92-48(71)21-20-40-18-16-15-17-19-40)31-46-64(8)23-22-41(32-66(64,77)24-25-68(46,69)79)90-49-28-42(81-10)56(35(3)85-49)93-50-29-43(82-11)57(36(4)86-50)94-51-30-44(83-12)58(37(5)87-51)95-63-55(75)60(84-13)59(38(6)88-63)96-62-54(74)53(73)52(72)45(33-70)91-62/h14-21,24-25,35-39,41-47,49-60,62-63,70,72-75,77-80H,22-23,26-33H2,1-13H3/b21-20+,34-14+/t35-,36+,37-,38+,39+,41+,42+,43-,44-,45-,46-,47-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60+,62+,63-,64-,65-,66-,67-,68+,69-/m1/s1 |
| InChIKey | ZSVSPQCGTYJLNZ-XCXPLNRUSA-N |
| Mol Weight | 1365.6 g/mol |
| Molecular Formula | C69H104O27 |
| Exact Mass | 1364.676498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtrWaymRmlA |
|---|---|
| Name | GYMNEPREGOSIDE-K;#5;12-O-(E)-CINNAMOYL-20-O-TIGLOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H104O27 |
| InChI | InChI=1S/C69H104O27/c1-14-34(2)61(76)89-39(7)67(78)26-27-69(80)65(67,9)47(92-48(71)21-20-40-18-16-15-17-19-40)31-46-64(8)23-22-41(32-66(64,77)24-25-68(46,69)79)90-49-28-42(81-10)56(35(3)85-49)93-50-29-43(82-11)57(36(4)86-50)94-51-30-44(83-12)58(37(5)87-51)95-63-55(75)60(84-13)59(38(6)88-63)96-62-54(74)53(73)52(72)45(33-70)91-62/h14-21,24-25,35-39,41-47,49-60,62-63,70,72-75,77-80H,22-23,26-33H2,1-13H3/b21-20+,34-14+/t35-,36+,37-,38+,39+,41+,42+,43-,44-,45-,46-,47-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60+,62+,63-,64-,65-,66-,67-,68+,69-/m1/s1 |
| InChIKey | ZSVSPQCGTYJLNZ-XCXPLNRUSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,K.TAKAHASHI,M.TANAKA,S.ARIHARA,H.C. CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,798(1999) |
| Literature Reference DOI | 10.1248/cpb.47.798 |
| Molecular Weight | 1365.569 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8034 |