SpectraBase Compound ID | EA42SoA7JlQ |
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InChI | InChI=1S/C37H56O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21-22,27-31H,12-20H2,1-10H3/t21-,22+,27-,28-,29-,30+,31+,33+,34-,35-,36-,37+/m1/s1 |
InChIKey | RBROFYWGBCTLGA-BXEJNOIYSA-N |
Mol Weight | 628.8 g/mol |
Molecular Formula | C37H56O8 |
Exact Mass | 628.397519 g/mol |
SpectraBase Spectrum ID | IvcfjJZImPF |
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Name | METHYL-2-ALPHA,3-BETA,24-TRI-O-ACETYL-URS-12-EN-28-OATE |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C37H56O8 |
InChI | InChI=1S/C37H56O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21-22,27-31H,12-20H2,1-10H3/t21-,22+,27-,28-,29-,30+,31+,33+,34-,35-,36-,37+/m1/s1 |
InChIKey | RBROFYWGBCTLGA-BXEJNOIYSA-N |
Literature Reference Author | F.J.Q.MONTE,J.P.KINTZINGER |
Literature Reference Citation | J.BRAZ.CHEM.SOC.,9,23(1998) |
Literature Reference DOI | 10.1590/s0103-50531998000100005 |
Molecular Weight | 628.847 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMS4113 |