| SpectraBase Compound ID | 6weYA8kbCt5 |
|---|---|
| InChI | InChI=1S/C69H110O25/c1-33-24-47(74-11)59(72)65(80-33)87-42-18-21-66(9)41(25-42)16-17-43-44(66)19-22-67(10)45(43)20-23-69(67,73)40(8)86-54-30-51-64(38(6)85-54)93-94-68(32-79-51)31-52(78-15)63(39(7)92-68)91-57-29-50(77-14)61(36(4)84-57)89-53-26-46(70)60(35(3)82-53)88-56-28-49(76-13)62(37(5)83-56)90-55-27-48(75-12)58(71)34(2)81-55/h16,24,33-40,42-46,48-58,60-65,70-71,73H,17-23,25-32H2,1-15H3/t33-,34-,35+,36+,37+,38+,39+,40-,42+,43-,44+,45+,46+,48-,49-,50-,51+,52-,53-,54-,55+,56-,57-,58-,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+/m1/s1 |
| InChIKey | WZZVOUFVRPNERS-GAZJZGANSA-N |
| Mol Weight | 1339.6 g/mol |
| Molecular Formula | C69H110O25 |
| Exact Mass | 1338.733619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxDRWajqZy9 |
|---|---|
| Name | #3;PERIPEROXIDE-C;PREGN-5-ENE-3-BETA,17-ALPHA,20S-TRIOL-3-O-(4,6-DIDEOXY-3-METHOXY-2-HEXOSULOSIDE-3-ENE)-20-O-OLEANDROPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-( |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H110O25 |
| InChI | InChI=1S/C69H110O25/c1-33-24-47(74-11)59(72)65(80-33)87-42-18-21-66(9)41(25-42)16-17-43-44(66)19-22-67(10)45(43)20-23-69(67,73)40(8)86-54-30-51-64(38(6)85-54)93-94-68(32-79-51)31-52(78-15)63(39(7)92-68)91-57-29-50(77-14)61(36(4)84-57)89-53-26-46(70)60(35(3)82-53)88-56-28-49(76-13)62(37(5)83-56)90-55-27-48(75-12)58(71)34(2)81-55/h16,24,33-40,42-46,48-58,60-65,70-71,73H,17-23,25-32H2,1-15H3/t33-,34-,35+,36+,37+,38+,39+,40-,42+,43-,44+,45+,46+,48-,49-,50-,51+,52-,53-,54-,55+,56-,57-,58-,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+/m1/s1 |
| InChIKey | WZZVOUFVRPNERS-GAZJZGANSA-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 | 1339.617 g/mol |
| Sample ID | 63141 |
| Solvent | CDCl3 |