| SpectraBase Compound ID | HrXghBMwTiB |
|---|---|
| InChI | InChI=1S/C64H104O23/c1-31-55(81-52-26-46(70-12)58(34(4)76-52)83-53-25-45(69-11)56(32(2)75-53)80-38(8)65)44(67)24-50(74-31)82-57-33(3)77-54(27-47(57)71-13)84-59-36(6)85-63(29-49(59)72-14)30-73-48-28-51(78-35(5)60(48)86-87-63)79-37(7)64(68)22-19-43-41-16-15-39-23-40(66)17-20-61(39,9)42(41)18-21-62(43,64)10/h15,31-37,40-60,66-68H,16-30H2,1-14H3/t31-,32+,33-,34-,35-,36-,37+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53-,54+,55-,56+,57-,58-,59-,60-,61-,62-,63+,64-/m0/s1 |
| InChIKey | MHOWMSCYVZKUFV-QHVPFYJRSA-N |
| Mol Weight | 1241.5 g/mol |
| Molecular Formula | C64H104O23 |
| Exact Mass | 1240.69684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UZTFWbfmia |
|---|---|
| Name | #5;PERIPEROXIDE-E;PREGN-5-ENE-3-BETA,17-ALPHA,20S-TRIOL-20-O-4-O-ACETYL-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-CANAROPYRANOSY-(1->4)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O23 |
| InChI | InChI=1S/C64H104O23/c1-31-55(81-52-26-46(70-12)58(34(4)76-52)83-53-25-45(69-11)56(32(2)75-53)80-38(8)65)44(67)24-50(74-31)82-57-33(3)77-54(27-47(57)71-13)84-59-36(6)85-63(29-49(59)72-14)30-73-48-28-51(78-35(5)60(48)86-87-63)79-37(7)64(68)22-19-43-41-16-15-39-23-40(66)17-20-61(39,9)42(41)18-21-62(43,64)10/h15,31-37,40-60,66-68H,16-30H2,1-14H3/t31-,32+,33-,34-,35-,36-,37+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53-,54+,55-,56+,57-,58-,59-,60-,61-,62-,63+,64-/m0/s1 |
| InChIKey | MHOWMSCYVZKUFV-QHVPFYJRSA-N |
| Literature Reference Author | J.FENG,R.ZHANG,Y.ZHOU,Z.CHEN,W.TANG,Q.LIU,J.P.ZUO,W.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,69,2716(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.08.015 |
| Molecular Weight | 1241.516 g/mol |
| Sample ID | 63143 |
| Solvent | CDCl3 |