| SpectraBase Compound ID | AhlTU295L5s |
|---|---|
| InChI | InChI=1S/C31H46O6S/c1-24(2)29(32)16-19-31(5,33)18-11-12-25(3)22-28(38(34,35)27-13-7-6-8-14-27)23-26(4)17-21-37-30-15-9-10-20-36-30/h6-8,12-14,23-24,28-30,32-33H,9-11,15,17-18,20-22H2,1-5H3/b25-12+,26-23+/t28?,29?,30?,31-/m0/s1 |
| InChIKey | MATKRDFGLBXDAA-JNULOUSZSA-N |
| Mol Weight | 546.8 g/mol |
| Molecular Formula | C31H46O6S |
| Exact Mass | 546.30151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6XKxWyVKUT5 |
|---|---|
| Name | (6S)-2,6,10,14-Tetramethyl-12-phenylsulfonyl-16-tetrahydropyranoxy-3,6-dihydroxy-9E,13E-hexadecadien-4-yne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O6S |
| InChI | InChI=1S/C31H46O6S/c1-24(2)29(32)16-19-31(5,33)18-11-12-25(3)22-28(38(34,35)27-13-7-6-8-14-27)23-26(4)17-21-37-30-15-9-10-20-36-30/h6-8,12-14,23-24,28-30,32-33H,9-11,15,17-18,20-22H2,1-5H3/b25-12+,26-23+/t28?,29?,30?,31-/m0/s1 |
| InChIKey | MATKRDFGLBXDAA-JNULOUSZSA-N |
| Molecular Weight | 546.763 g/mol |
| SMILES | OC(C#C[C@](CC\C=C\(CC(S(=O)(=O)c1ccccc1)\C=C\(CCOC1OCCCC1)C)C)(O)C)C(C)C |
| SPLASH | splash10-000i-9000100000-05faef32ea84073e35cf |
| Source of Spectrum | QA-42-706-15 |
| Synonyms | (6S,9E,13E)-2,6,10,14-tetramethyl-12-(phenylsulfonyl)-16-(tetrahydro-2H-pyran-2-yloxy)-9,13-hexadecadien-4-yne-3,6-diol (6S,9E,13E)-12-(benzenesulfonyl)-2,6,10,14-tetramethyl-16-(2-oxanyloxy)hexadeca-9,13-dien-4-yne-3,6-diol (6S,9E,13E)-12-(benzenesulfonyl)-2,6,10,14-tetramethyl-16-(oxan-2-yloxy)hexadeca-9,13-dien-4-yne-3,6-diol (6S,9E,13E)-12-(benzenesulfonyl)-2,6,10,14-tetramethyl-16-tetrahydropyran-2-yloxy-hexadeca-9,13-dien-4-yne-3,6-diol (6S,9E,13E)-2,6,10,14-tetramethyl-16-(oxan-2-yloxy)-12-(phenylsulfonyl)hexadeca-9,13-dien-4-yne-3,6-diol |
| Wiley ID | 861985 |