| SpectraBase Compound ID | 45ZjTAQ7daO |
|---|---|
| InChI | InChI=1S/C71H102O27/c1-36-58(95-52-31-45(84-9)59(37(2)88-52)96-53-32-46(85-10)60(38(3)89-53)97-65-57(77)62(86-11)61(39(4)90-65)98-64-56(76)55(75)54(74)47(35-72)93-64)44(83-8)30-51(87-36)92-43-24-25-66(6)48-33-49(94-50(73)23-22-41-18-14-12-15-19-41)67(7)69(80,40(5)91-63(78)42-20-16-13-17-21-42)28-29-71(67,82)70(48,81)27-26-68(66,79)34-43/h12-23,26-27,36-40,43-49,51-62,64-65,72,74-77,79-82H,24-25,28-35H2,1-11H3/b23-22+/t36-,37+,38-,39+,40?,43+,44+,45-,46-,47-,48?,49-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60-,61+,62-,64+,65-,66-,67-,68-,69-,70+,71-/m1/s1 |
| InChIKey | ATSQTDGTTSBCIO-QOCJNQIBSA-N |
| Mol Weight | 1387.6 g/mol |
| Molecular Formula | C71H102O27 |
| Exact Mass | 1386.660848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bqct6NmcRv1 |
|---|---|
| Name | GYMNEPREGOSIDE-E;#5;12-O-CINNAMOYL-20-O-BENZOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H102O27 |
| InChI | InChI=1S/C71H102O27/c1-36-58(95-52-31-45(84-9)59(37(2)88-52)96-53-32-46(85-10)60(38(3)89-53)97-65-57(77)62(86-11)61(39(4)90-65)98-64-56(76)55(75)54(74)47(35-72)93-64)44(83-8)30-51(87-36)92-43-24-25-66(6)48-33-49(94-50(73)23-22-41-18-14-12-15-19-41)67(7)69(80,40(5)91-63(78)42-20-16-13-17-21-42)28-29-71(67,82)70(48,81)27-26-68(66,79)34-43/h12-23,26-27,36-40,43-49,51-62,64-65,72,74-77,79-82H,24-25,28-35H2,1-11H3/b23-22+/t36-,37+,38-,39+,40?,43+,44+,45-,46-,47-,48?,49-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60-,61+,62-,64+,65-,66-,67-,68-,69-,70+,71-/m1/s1 |
| InChIKey | ATSQTDGTTSBCIO-QOCJNQIBSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1239(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1239 |
| Molecular Weight | 1387.575 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20372 |