| SpectraBase Compound ID | J0AOxWM3dCB |
|---|---|
| InChI | InChI=1S/C44H72O16/c1-21(48)56-20-41(5)26-10-13-42(6)27(40(26,4)12-11-28(41)49)9-8-22-23-14-39(2,3)30(16-44(23,19-47)29(50)15-43(22,42)7)59-38-36(34(54)32(52)25(18-46)58-38)60-37-35(55)33(53)31(51)24(17-45)57-37/h8,23-38,45-47,49-55H,9-20H2,1-7H3/t23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | XAGNHIASSVATPX-ZHTZNSGVSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C44H72O16 |
| Exact Mass | 856.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku8ijoKPAbS |
|---|---|
| Name | PLEUROSAPONIN-D;21-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-23-ACETOXYL-3-BETA,16-BETA,21-BETA,28-TETRAHYDROXY-OLEAN-12-EN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O16 |
| InChI | InChI=1S/C44H72O16/c1-21(48)56-20-41(5)26-10-13-42(6)27(40(26,4)12-11-28(41)49)9-8-22-23-14-39(2,3)30(16-44(23,19-47)29(50)15-43(22,42)7)59-38-36(34(54)32(52)25(18-46)58-38)60-37-35(55)33(53)31(51)24(17-45)57-37/h8,23-38,45-47,49-55H,9-20H2,1-7H3/t23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | XAGNHIASSVATPX-ZHTZNSGVSA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 857.046 g/mol |
| Source File Reference | UWBT4483 |