| SpectraBase Compound ID | AJecueY1F5r |
|---|---|
| InChI | InChI=1S/C68H110O33/c1-26-51(97-57-50(86)52(32(73)24-90-57)98-55-46(82)38(74)29(70)21-88-55)45(81)49(85)58(93-26)100-54-44(80)41(77)33(20-69)94-61(54)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)96-59-48(84)43(79)42(78)34(95-59)25-92-60-53(40(76)31(72)23-91-60)99-56-47(83)39(75)30(71)22-89-56/h9,26,28-61,69-86H,10-25H2,1-8H3/t26-,28?,29-,30+,31-,32-,33+,34+,35?,36?,37-,38+,39-,40-,41+,42+,43-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57+,58-,59-,60-,61-,65-,66+,67+,68-/m0/s1 |
| InChIKey | YEFIMTZGZGDHKG-HGNUBURISA-N |
| Mol Weight | 1455.6 g/mol |
| Molecular Formula | C68H110O33 |
| Exact Mass | 1454.692936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpBtqxk75se |
|---|---|
| Name | PROSAPOGENIN-1A |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H110O33 |
| InChI | InChI=1S/C68H110O33/c1-26-51(97-57-50(86)52(32(73)24-90-57)98-55-46(82)38(74)29(70)21-88-55)45(81)49(85)58(93-26)100-54-44(80)41(77)33(20-69)94-61(54)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)96-59-48(84)43(79)42(78)34(95-59)25-92-60-53(40(76)31(72)23-91-60)99-56-47(83)39(75)30(71)22-89-56/h9,26,28-61,69-86H,10-25H2,1-8H3/t26-,28?,29-,30+,31-,32-,33+,34+,35?,36?,37-,38+,39-,40-,41+,42+,43-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57+,58-,59-,60-,61-,65-,66+,67+,68-/m0/s1 |
| InChIKey | YEFIMTZGZGDHKG-HGNUBURISA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | J.NAT.PROD.,62,740(1999) |
| Literature Reference DOI | 10.1021/np980441k |
| Molecular Weight | 1455.602 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7860 |