| SpectraBase Compound ID | 3i0LkBZaSYZ |
|---|---|
| InChI | InChI=1S/C38H52O17/c1-18(2)34(47)52-33-28(48-20(4)39)32(50-22(6)41)35(10,11)15-13-19(3)29(46)38(55-25(9)44)17-36(12,53-23(7)42)30(49-21(5)40)27(38)31-37(33,54-24(8)43)16-14-26(45)51-31/h13,15,18-19,27-28,30-33H,14,16-17H2,1-12H3/b15-13+/t19?,27-,28+,30-,31-,32-,33-,36-,37+,38-/m1/s1 |
| InChIKey | CJVCPNYZFQYRIV-ZUTYRZOTSA-N |
| Mol Weight | 780.8 g/mol |
| Molecular Formula | C38H52O17 |
| Exact Mass | 780.32045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LDXxY14cb0E |
|---|---|
| Name | Terracinolide B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H52O17 |
| InChI | InChI=1S/C38H52O17/c1-18(2)34(47)52-33-28(48-20(4)39)32(50-22(6)41)35(10,11)15-13-19(3)29(46)38(55-25(9)44)17-36(12,53-23(7)42)30(49-21(5)40)27(38)31-37(33,54-24(8)43)16-14-26(45)51-31/h13,15,18-19,27-28,30-33H,14,16-17H2,1-12H3/b15-13+/t19?,27-,28+,30-,31-,32-,33-,36-,37+,38-/m1/s1 |
| InChIKey | CJVCPNYZFQYRIV-ZUTYRZOTSA-N |
| Molecular Weight | 780.817 g/mol |
| SMILES | [C@]12([C@@]([C@]([C@](C(\C=C\C(C([C@@]3([C@@]([C@]2(OC(CC1)=O)[H])([C@]([C@@](OC(=O)C)(C)C3)(OC(=O)C)[H])[H])OC(=O)C)=O)C)(C)C)(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C(C)C)[H])OC(=O)C |
| SPLASH | splash10-0fk9-9003116400-56badcf2eeffc5ee22ea |
| Source of Spectrum | J-61-1708-2 |
| Wiley ID | 1416895 |