| SpectraBase Compound ID | 7jss8V7KhAh |
|---|---|
| InChI | InChI=1S/C40H62O11/c1-22(41)48-33-28(50-32(45)21-37(7,47)20-31(43)44)19-38(8)26-16-18-39(9)25(15-17-40(39,10)27(26)12-13-29(38)35(33,3)4)24-11-14-30(36(5,6)46)51-34(24)49-23(2)42/h24-25,28-30,33-34,46-47H,11-21H2,1-10H3,(H,43,44)/t24?,25-,28-,29?,30-,33+,34?,37?,38-,39-,40+/m1/s1 |
| InChIKey | JBMORHZTYFJYCP-AZXKSVEESA-N |
| Mol Weight | 718.9 g/mol |
| Molecular Formula | C40H62O11 |
| Exact Mass | 718.429213 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FGYYBzSPzRl |
|---|---|
| Name | Hebelonic acid F |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H62O11 |
| InChI | InChI=1S/C40H62O11/c1-22(41)48-33-28(50-32(45)21-37(7,47)20-31(43)44)19-38(8)26-16-18-39(9)25(15-17-40(39,10)27(26)12-13-29(38)35(33,3)4)24-11-14-30(36(5,6)46)51-34(24)49-23(2)42/h24-25,28-30,33-34,46-47H,11-21H2,1-10H3,(H,43,44)/t24?,25-,28-,29?,30-,33+,34?,37?,38-,39-,40+/m1/s1 |
| InChIKey | JBMORHZTYFJYCP-AZXKSVEESA-N |
| Molecular Weight | 718.925 g/mol |
| SMILES | OC([C@@]1(OC(C([C@]2(CC[C@]3(C4=C([C@@]5(C(C([C@]([C@](OC(CC(CC(=O)O)(O)C)=O)(C5)[H])(OC(=O)C)[H])(C)C)CC4)C)CC[C@]23C)C)[H])CC1)OC(=O)C)[H])(C)C |
| SPLASH | splash10-014l-6910110000-71ac4721008362dfa84a |
| Source of Spectrum | G4-58-999-6 |
| Wiley ID | 1605929 |