SpectraBase Compound ID | F0LZ4YmS8Kl |
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InChI | InChI=1S/C37H52O5/c1-32(2)20-21-37(31(40)41)19-14-27-35(6)16-12-25-33(3,4)29(42-30(39)23-8-10-24(38)11-9-23)15-18-34(25,5)26(35)13-17-36(27,7)28(37)22-32/h8-11,14,25-26,28-29,38H,12-13,15-22H2,1-7H3,(H,40,41)/t25?,26?,28?,29?,34-,35+,36+,37+/m0/s1 |
InChIKey | LWRHKINOBJNENZ-ZZYRHMLSSA-N |
Mol Weight | 576.8 g/mol |
Molecular Formula | C37H52O5 |
Exact Mass | 576.381475 g/mol |
SpectraBase Spectrum ID | 97Wc6sd19s2 |
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Name | Aleuritolic Acid - 3-(p-Hydroxybenzoate) |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C37H52O5 |
InChI | InChI=1S/C37H52O5/c1-32(2)20-21-37(31(40)41)19-14-27-35(6)16-12-25-33(3,4)29(42-30(39)23-8-10-24(38)11-9-23)15-18-34(25,5)26(35)13-17-36(27,7)28(37)22-32/h8-11,14,25-26,28-29,38H,12-13,15-22H2,1-7H3,(H,40,41)/t25?,26?,28?,29?,34-,35+,36+,37+/m0/s1 |
InChIKey | LWRHKINOBJNENZ-ZZYRHMLSSA-N |
Molecular Weight | 576.818 g/mol |
SMILES | OC([C@@]12CCC(CC2[C@]2(C([C@@]3(CCC4C(C(OC(c5ccc(cc5)O)=O)CC[C@@]4(C3CC2)C)(C)C)C)=CC1)C)(C)C)=O |
SPLASH | splash10-00ei-0930010000-8457160cf58a535a8ee7 |
Source of Spectrum | G4-58-1044-2 |
Wiley ID | 1605926 |