| SpectraBase Compound ID | 6w8Wu6i6rq5 |
|---|---|
| InChI | InChI=1S/C47H78O17/c1-23(2)18-34(49)61-27(6)45(52)16-17-47(54)44(45,8)33(48)22-32-43(7)14-13-29(19-28(43)12-15-46(32,47)53)62-35-20-30(55-9)39(25(4)58-35)63-36-21-31(56-10)40(26(5)59-36)64-42-38(51)41(57-11)37(50)24(3)60-42/h12,23-27,29-33,35-42,48,50-54H,13-22H2,1-11H3/t24-,25-,26+,27?,29+,30+,31-,32?,33-,35+,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47+/m1/s1 |
| InChIKey | CCEXCWPGFOCGSY-XIASUJBBSA-N |
| Mol Weight | 915.1 g/mol |
| Molecular Formula | C47H78O17 |
| Exact Mass | 914.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95OGAV11l72 |
|---|---|
| Name | SINOMARINOSIDE_C;INCISAGENIN_A_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O17 |
| InChI | InChI=1S/C47H78O17/c1-23(2)18-34(49)61-27(6)45(52)16-17-47(54)44(45,8)33(48)22-32-43(7)14-13-29(19-28(43)12-15-46(32,47)53)62-35-20-30(55-9)39(25(4)58-35)63-36-21-31(56-10)40(26(5)59-36)64-42-38(51)41(57-11)37(50)24(3)60-42/h12,23-27,29-33,35-42,48,50-54H,13-22H2,1-11H3/t24-,25-,26+,27?,29+,30+,31-,32?,33-,35+,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47+/m1/s1 |
| InChIKey | CCEXCWPGFOCGSY-XIASUJBBSA-N |
| Literature Reference Author | J.J.CHEN,Z.X.ZHANG,J.ZHOU,B.T.LI |
| Literature Reference Citation | J.NAT.PROD.,62,829(1999) |
| Literature Reference DOI | 10.1021/np9804684 |
| Molecular Weight | 915.126 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ2630 |