| SpectraBase Compound ID | 7d3hdngl3RR |
|---|---|
| InChI | InChI=1S/C53H84O22S/c1-24(2)18-39(55)72-38-20-34-31(33-15-14-32(25(3)54)53(33,38)8)13-12-29-19-30(16-17-52(29,34)7)70-50-44(58)43(57)48(37(71-50)23-66-76(60,61)62)75-51-45(59)49(65-11)47(28(6)69-51)74-41-22-36(64-10)46(27(5)68-41)73-40-21-35(63-9)42(56)26(4)67-40/h12,18,26-28,30-38,40-51,56-59H,13-17,19-23H2,1-11H3,(H,60,61,62) |
| InChIKey | BMJHLFXNCNDEDW-UHFFFAOYSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C53H84O22S |
| Exact Mass | 1104.517495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8y5rDrT78U |
|---|---|
| Name | EXTENSUMSIDE_B;12-(3-METHYLBUT-2-ENOYLOXY)-PREGN-5-EN-20-ONE_3-O-[BETA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-BETA-THEVETO |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22S |
| InChI | InChI=1S/C53H84O22S/c1-24(2)18-39(55)72-38-20-34-31(33-15-14-32(25(3)54)53(33,38)8)13-12-29-19-30(16-17-52(29,34)7)70-50-44(58)43(57)48(37(71-50)23-66-76(60,61)62)75-51-45(59)49(65-11)47(28(6)69-51)74-41-22-36(64-10)46(27(5)68-41)73-40-21-35(63-9)42(56)26(4)67-40/h12,18,26-28,30-38,40-51,56-59H,13-17,19-23H2,1-11H3,(H,60,61,62) |
| InChIKey | BMJHLFXNCNDEDW-UHFFFAOYSA-N |
| Literature Reference Author | M.F.YANG,Y.Y.LI,X.P.GAO,B.G.LI,G.L.ZHANG |
| Literature Reference Citation | PLANTA.MED.,70,556(2004) |
| Literature Reference DOI | 10.1055/s-2004-827157 |
| Molecular Weight | 1105.297 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ48398 |