![28-O-[RHAMNOPYRANOSYL-(1->4)-[RHAMNOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-GYPSOGENIN-ESTER](/api/spectrum/5tKU18mSbgj/structure.png?h=300&w=458 "28-O-[RHAMNOPYRANOSYL-(1->4)-[RHAMNOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-GYPSOGENIN-ESTER")
| SpectraBase Compound ID | JEDbZxJ6ifk |
|---|---|
| InChI | InChI=1S/C54H86O21/c1-23-32(57)35(60)39(64)44(69-23)68-21-28-42(73-45-40(65)36(61)33(58)24(2)70-45)38(63)41(66)46(72-28)74-43-37(62)34(59)25(3)71-47(43)75-48(67)54-18-16-49(4,5)20-27(54)26-10-11-30-50(6)14-13-31(56)51(7,22-55)29(50)12-15-53(30,9)52(26,8)17-19-54/h10,22-25,27-47,56-66H,11-21H2,1-9H3/t23-,24+,25+,27?,28+,29?,30?,31-,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | XFRUXRBRAPDLPN-SCTVXUIQSA-N |
| Mol Weight | 1071.3 g/mol |
| Molecular Formula | C54H86O21 |
| Exact Mass | 1070.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tKU18mSbgj |
|---|---|
| Name | 28-O-[RHAMNOPYRANOSYL-(1->4)-[RHAMNOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-GYPSOGENIN-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O21 |
| InChI | InChI=1S/C54H86O21/c1-23-32(57)35(60)39(64)44(69-23)68-21-28-42(73-45-40(65)36(61)33(58)24(2)70-45)38(63)41(66)46(72-28)74-43-37(62)34(59)25(3)71-47(43)75-48(67)54-18-16-49(4,5)20-27(54)26-10-11-30-50(6)14-13-31(56)51(7,22-55)29(50)12-15-53(30,9)52(26,8)17-19-54/h10,22-25,27-47,56-66H,11-21H2,1-9H3/t23-,24+,25+,27?,28+,29?,30?,31-,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | XFRUXRBRAPDLPN-SCTVXUIQSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1071.264 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1102 |