| SpectraBase Compound ID | 8G30X1QV6bw |
|---|---|
| InChI | InChI=1S/C33H50O7/c1-18(14-22(36)20(3)19(2)16-34)27-23(40-21(4)35)15-30(6)24-8-9-25-31(7,28(38)39)26(37)10-11-32(25)17-33(24,32)13-12-29(27,30)5/h18-19,23-27,34,37H,3,8-17H2,1-2,4-7H3,(H,38,39)/t18-,19?,23+,24+,25+,26+,27+,29-,30+,31+,32-,33+/m1/s1 |
| InChIKey | RXLLRXGUFZUAPE-WJPVUZNISA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C33H50O7 |
| Exact Mass | 558.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I72l4di1Vox |
|---|---|
| Name | 16-ACETYL-3-BETA,26-DIHYDROXY-24-METHYL-25-ZETA-CYCLOART-24-(24A)-EN-23-ON-29-OIC_ACID |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O7 |
| InChI | InChI=1S/C33H50O7/c1-18(14-22(36)20(3)19(2)16-34)27-23(40-21(4)35)15-30(6)24-8-9-25-31(7,28(38)39)26(37)10-11-32(25)17-33(24,32)13-12-29(27,30)5/h18-19,23-27,34,37H,3,8-17H2,1-2,4-7H3,(H,38,39)/t18-,19?,23+,24+,25+,26+,27+,29-,30+,31+,32-,33+/m1/s1 |
| InChIKey | RXLLRXGUFZUAPE-WJPVUZNISA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 558.756 g/mol |
| Sample ID | 39738 |
| Solvent | CDCl3 |