| SpectraBase Compound ID | SKHAGJ59wg |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-18(2)19-11-14-31(27(36)38-8)15-16-32(17-33)20(23(19)31)9-10-22-29(32,5)13-12-21-28(3,4)25(34)24(26(35)37-7)30(21,22)6/h19-25,33-34H,1,9-17H2,2-8H3/t19?,20?,21?,22?,23?,24-,25+,29?,30?,31?,32?/m1/s1 |
| InChIKey | FFSXRGCXGMDBOJ-IZXMIYSVSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C32H50O6 |
| Exact Mass | 530.360739 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4riFjtkU9lI |
|---|---|
| Name | 27-Hydroxyceanothic acid - dimethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-18(2)19-11-14-31(27(36)38-8)15-16-32(17-33)20(23(19)31)9-10-22-29(32,5)13-12-21-28(3,4)25(34)24(26(35)37-7)30(21,22)6/h19-25,33-34H,1,9-17H2,2-8H3/t19?,20?,21?,22?,23?,24-,25+,29?,30?,31?,32?/m1/s1 |
| InChIKey | FFSXRGCXGMDBOJ-IZXMIYSVSA-N |
| Molecular Weight | 530.746 g/mol |
| SMILES | O[C@]1([C@@](C2(C3C(C4(CO)CCC5(C(C4CC3)C(CC5)C(=C)C)C(=O)OC)(CCC2C1(C)C)C)C)(C(=O)OC)[H])[H] |
| SPLASH | splash10-000b-0810920000-6fb8e1a43b2d35730fd6 |
| Source of Spectrum | X2-55-606-4 |
| Wiley ID | 1604459 |