| SpectraBase Compound ID | lsrxtuM9ik |
|---|---|
| InChI | InChI=1S/C51H84O24/c1-19(18-67-45-40(63)38(61)34(57)28(15-52)70-45)8-11-51(66)20(2)32-27(75-51)14-26-24-7-6-22-12-23(13-31(55)50(22,5)25(24)9-10-49(26,32)4)69-48-44(74-46-41(64)37(60)33(56)21(3)68-46)43(36(59)30(17-54)72-48)73-47-42(65)39(62)35(58)29(16-53)71-47/h6,19-21,23-48,52-66H,7-18H2,1-5H3/t19-,20-,21+,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | UNMXIJDQDAFKGW-VQHYGWKBSA-N |
| Mol Weight | 1081.2 g/mol |
| Molecular Formula | C51H84O24 |
| Exact Mass | 1080.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 730tfqyLDPO |
|---|---|
| Name | UNMXIJDQDAFKGW-VQHYGWKBSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O24 |
| InChI | InChI=1S/C51H84O24/c1-19(18-67-45-40(63)38(61)34(57)28(15-52)70-45)8-11-51(66)20(2)32-27(75-51)14-26-24-7-6-22-12-23(13-31(55)50(22,5)25(24)9-10-49(26,32)4)69-48-44(74-46-41(64)37(60)33(56)21(3)68-46)43(36(59)30(17-54)72-48)73-47-42(65)39(62)35(58)29(16-53)71-47/h6,19-21,23-48,52-66H,7-18H2,1-5H3/t19-,20-,21+,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | UNMXIJDQDAFKGW-VQHYGWKBSA-N |
| Literature Reference Author | V.L.CHALLINOR,S.PIACENTE,J.J.DEVOSS |
| Literature Reference Citation | STEROIDS,77,602(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.02.002 |
| Molecular Weight | 1081.214 g/mol |
| Sample ID | 968852 |
| Solvent | C5D5N:D2O=9:1 |