| SpectraBase Spectrum ID |
Ewa2ouncLnf |
| Name |
1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)- |
| CAS Registry Number |
74269-70-8 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26O5S |
| InChI |
InChI=1S/C25H26O5S/c1-24(31-19-12-6-3-7-13-19)25(17-29-16-18-10-4-2-5-11-18)15-9-8-14-20(25)21(22(26)27)23(28)30-24/h2-13,20-21H,14-17H2,1H3,(H,26,27)/t20?,21-,24?,25-/m0/s1 |
| InChIKey |
PPQSXOMRQGLHAB-OTUQQEHESA-N |
| Molecular Weight |
438.538 g/mol |
| SMILES |
OC([C@]1(C(OC([C@]2(C1CC=CC2)COCc1ccccc1)(Sc1ccccc1)C)=O)[H])=O |
| SPLASH |
splash10-0006-9000100000-f4263db0bb45d6337839 |
| Source of Spectrum |
F-35-2394-0 |
| Synonyms |
(4S,8aR)-8a-[(benzyloxy)methyl]-1-methyl-3-oxo-1-(phenylsulfanyl)-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran-4-carboxylic acid
Methyl 8a.alpha.-benzyloxymethyl-5.alpha.-phenylthio-4a.alpha.,5,8,8a-tetrahydro-3-isochromanone-4.alpha.-carboxylic acid |
| Wiley ID |
1384166 |
![1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)-](/api/spectrum/Ewa2ouncLnf/structure.png?h=300&w=458 "1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)-")
