| SpectraBase Compound ID | BdPYA5Ktfo8 |
|---|---|
| InChI | InChI=1S/C42H66O17/c1-18-9-12-42(36(54)59-34-30(51)28(49)26(47)22(17-44)57-34)14-13-38(3)19(31(42)41(18,6)55)7-8-23-37(2)15-20(45)32(52)40(5,24(37)10-11-39(23,38)4)35(53)58-33-29(50)27(48)25(46)21(16-43)56-33/h7,18,20-34,43-52,55H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1 |
| InChIKey | CNYSUPSHAFLXED-ZUAUYZBYSA-N |
| Mol Weight | 843.0 g/mol |
| Molecular Formula | C42H66O17 |
| Exact Mass | 842.430001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uEldSUIOp0 |
|---|---|
| Name | STELMATOTRITERPENOSIDE-H;#4;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-24,28-DIOIC-ACID-24-O-BETA-D-GLUCOPYRANOSYL-28-O-BETA-D-GLUCOPYRANOSYL-DIESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O17 |
| InChI | InChI=1S/C42H66O17/c1-18-9-12-42(36(54)59-34-30(51)28(49)26(47)22(17-44)57-34)14-13-38(3)19(31(42)41(18,6)55)7-8-23-37(2)15-20(45)32(52)40(5,24(37)10-11-39(23,38)4)35(53)58-33-29(50)27(48)25(46)21(16-43)56-33/h7,18,20-34,43-52,55H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1 |
| InChIKey | CNYSUPSHAFLXED-ZUAUYZBYSA-N |
| Literature Reference Author | Q.ZHANG,Y.ZHAO,B.WANG,G.TU |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,574(2003) |
| Literature Reference DOI | 10.1248/cpb.51.574 |
| Molecular Weight | 842.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21398 |