| SpectraBase Compound ID | iCy1OglNTy |
|---|---|
| InChI | InChI=1S/C62H102O22/c1-30-53(65)43(67-10)24-50(72-30)80-56-33(4)74-51(25-44(56)68-11)78-54-31(2)73-48(23-42(54)64)79-55-32(3)75-52(26-45(55)69-12)81-57-35(6)82-61(28-47(57)70-13)29-71-46-27-49(76-34(5)58(46)83-84-61)77-36(7)62(66)21-18-41-39-15-14-37-22-38(63)16-19-59(37,8)40(39)17-20-60(41,62)9/h14,30-36,38-58,63-66H,15-29H2,1-13H3/t30-,31+,32+,33+,34+,35+,36-,38+,39-,40+,41+,42+,43-,44-,45-,46+,47-,48-,49-,50+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+/m1/s1 |
| InChIKey | QQCQUZGXPCJXCH-PEKIUYFJSA-N |
| Mol Weight | 1199.5 g/mol |
| Molecular Formula | C62H102O22 |
| Exact Mass | 1198.686275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQnm6KmJ9xH |
|---|---|
| Name | #4;PERIPEROXIDE-D;PREGN-5-ENE-3-BETA,17-ALPHA,20S-TRIOL-20-O-OLEANDROPYRANOSYL-(1->4)-O-BETA-CANAROPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->5)-O-3,7-DIDEOXY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H102O22 |
| InChI | InChI=1S/C62H102O22/c1-30-53(65)43(67-10)24-50(72-30)80-56-33(4)74-51(25-44(56)68-11)78-54-31(2)73-48(23-42(54)64)79-55-32(3)75-52(26-45(55)69-12)81-57-35(6)82-61(28-47(57)70-13)29-71-46-27-49(76-34(5)58(46)83-84-61)77-36(7)62(66)21-18-41-39-15-14-37-22-38(63)16-19-59(37,8)40(39)17-20-60(41,62)9/h14,30-36,38-58,63-66H,15-29H2,1-13H3/t30-,31+,32+,33+,34+,35+,36-,38+,39-,40+,41+,42+,43-,44-,45-,46+,47-,48-,49-,50+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+/m1/s1 |
| InChIKey | QQCQUZGXPCJXCH-PEKIUYFJSA-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 | 1199.479 g/mol |
| Sample ID | 63142 |
| Solvent | CDCl3 |