| SpectraBase Spectrum ID |
AwhRBNAbmYU |
| Name |
Methyl [4(S)-[1.beta.,4.beta.,4(Z)]]-4-hydroxy-4-[1-[(3-methoxy-3-oxopropyl)thio]-2-hexadecenyl]cyclohexanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H50O5S |
| InChI |
InChI=1S/C28H50O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(34-23-20-26(29)32-2)28(31)21-18-24(19-22-28)27(30)33-3/h16-17,24-25,31H,4-15,18-23H2,1-3H3/b17-16+/t24-,25-,28+/m0/s1 |
| InChIKey |
INJFKFLYAIFVLM-QKBGADKHSA-N |
| Molecular Weight |
498.763 g/mol |
| SMILES |
O[C@]1(CC[C@@](C(=O)OC)(CC1)[H])[C@](\C=C\CCCCCCCCCCCCC)(SCCC(=O)OC)[H] |
| SPLASH |
splash10-000i-9014300000-78f072b653e8fbb4a2a0 |
| Source of Spectrum |
J-56-1762-13 |
| Synonyms |
Methyl 4-hydroxy-4-{(1S,2E)-1-[(3-methoxy-3-oxopropyl)sulfanyl]-2-hexadecenyl}cyclohexanecarboxylate |
| Wiley ID |
1398586 |
![Methyl [4(S)-[1.beta.,4.beta.,4(Z)]]-4-hydroxy-4-[1-[(3-methoxy-3-oxopropyl)thio]-2-hexadecenyl]cyclohexanecarboxylate](/api/spectrum/AwhRBNAbmYU/structure.png?h=300&w=458 "Methyl [4(S)-[1.beta.,4.beta.,4(Z)]]-4-hydroxy-4-[1-[(3-methoxy-3-oxopropyl)thio]-2-hexadecenyl]cyclohexanecarboxylate")
