![PREGNANE-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]](/api/spectrum/Btdjdnh3AeY/structure.png?h=300&w=458 "PREGNANE-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | 1I5ValnzvAe |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-23(56)30-16-38(59)54(64)52(30,7)37(58)21-36-51(6)13-12-29(15-28(51)11-14-53(36,54)63)72-40-18-32(65-8)48(25(3)69-40)76-42-19-33(66-9)47(26(4)70-42)75-39-17-31(57)46(24(2)68-39)74-41-20-34(67-10)49(27(5)71-41)77-50-45(62)44(61)43(60)35(22-55)73-50/h11,24-27,29-50,55,57-64H,12-22H2,1-10H3/t24-,25+,26-,27-,29-,30-,31+,32-,33+,34-,35+,36+,37+,38+,39?,40-,41+,42+,43+,44-,45+,46-,47-,48+,49-,50?,51-,52-,53-,54+/m0/s1 |
| InChIKey | KKWOREYFVDXKAN-QQUSQBFZSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Btdjdnh3AeY |
|---|---|
| Name | PREGNANE-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE] |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-23(56)30-16-38(59)54(64)52(30,7)37(58)21-36-51(6)13-12-29(15-28(51)11-14-53(36,54)63)72-40-18-32(65-8)48(25(3)69-40)76-42-19-33(66-9)47(26(4)70-42)75-39-17-31(57)46(24(2)68-39)74-41-20-34(67-10)49(27(5)71-41)77-50-45(62)44(61)43(60)35(22-55)73-50/h11,24-27,29-50,55,57-64H,12-22H2,1-10H3/t24-,25+,26-,27-,29-,30-,31+,32-,33+,34-,35+,36+,37+,38+,39?,40-,41+,42+,43+,44-,45+,46-,47-,48+,49-,50?,51-,52-,53-,54+/m0/s1 |
| InChIKey | KKWOREYFVDXKAN-QQUSQBFZSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 1105.279 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2051 |