| SpectraBase Compound ID | 3MPWnmfaepB |
|---|---|
| InChI | InChI=1S/C40H46O20/c1-17-29(48)34(56-26(46)10-6-19-4-8-22(44)24(14-19)52-2)35(57-27(47)9-5-18-3-7-21(43)23(45)13-18)39(54-17)58-33-20-11-12-53-37(28(20)40(16-42)36(33)60-40)59-38-32(51)31(50)30(49)25(15-41)55-38/h3-14,17,20,25,28-39,41-45,48-51H,15-16H2,1-2H3/b9-5+,10-6+/t17-,20?,25+,28?,29-,30+,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-/m1/s1 |
| InChIKey | RJCXYCSYJVKEAC-WCURRSFKSA-N |
| Mol Weight | 846.8 g/mol |
| Molecular Formula | C40H46O20 |
| Exact Mass | 846.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qpSqqJXyES |
|---|---|
| Name | PREMNOSIDE_C |
| Compound Number | 102 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O20 |
| InChI | InChI=1S/C40H46O20/c1-17-29(48)34(56-26(46)10-6-19-4-8-22(44)24(14-19)52-2)35(57-27(47)9-5-18-3-7-21(43)23(45)13-18)39(54-17)58-33-20-11-12-53-37(28(20)40(16-42)36(33)60-40)59-38-32(51)31(50)30(49)25(15-41)55-38/h3-14,17,20,25,28-39,41-45,48-51H,15-16H2,1-2H3/b9-5+,10-6+/t17-,20?,25+,28?,29-,30+,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-/m1/s1 |
| InChIKey | RJCXYCSYJVKEAC-WCURRSFKSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 846.793 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16095 |