| SpectraBase Compound ID | 9in8sv1gdGD |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-18(2)19-11-14-32(27(36)38-8)16-15-29(4)20(23(19)32)9-10-22-30(29,5)13-12-21-28(3,17-33)25(34)24(26(35)37-7)31(21,22)6/h19-25,33-34H,1,9-17H2,2-8H3/t19?,20?,21?,22?,23?,24-,25+,28-,29?,30?,31?,32?/m1/s1 |
| InChIKey | ITVDHBPMGDRDIU-SKOPESSKSA-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 | 7zxLGRZZo |
|---|---|
| Name | 24-Hydroxyceanothic acid - dimethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-18(2)19-11-14-32(27(36)38-8)16-15-29(4)20(23(19)32)9-10-22-30(29,5)13-12-21-28(3,17-33)25(34)24(26(35)37-7)31(21,22)6/h19-25,33-34H,1,9-17H2,2-8H3/t19?,20?,21?,22?,23?,24-,25+,28-,29?,30?,31?,32?/m1/s1 |
| InChIKey | ITVDHBPMGDRDIU-SKOPESSKSA-N |
| Molecular Weight | 530.746 g/mol |
| SMILES | O[C@]1([C@@](C2(C([C@]1(CO)C)CCC1(C2CCC2C3C(CCC12C)(CCC3C(=C)C)C(=O)OC)C)C)(C(=O)OC)[H])[H] |
| SPLASH | splash10-0670-0940000000-daa471ff9d634068d614 |
| Source of Spectrum | X2-55-606-2 |
| Wiley ID | 1604460 |