| SpectraBase Spectrum ID |
A6dqynlW1Hy |
| Name |
1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-3-oxo-8a-[(phenylmethoxy)methyl]-, methyl ester, (4.alpha.,4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)- |
| Alternate Name(s) |
8a.alpha.-benzyloxymethyl-7.alpha.-hydroxy-4.alpha.-methoxycarbonyl-3-oxo-4a.alpha.,6,7,8a-tetrahydroisochromane
methyl (4R,4aS,7S,8aS)-8a-[(benzyloxy)methyl]-7-hydroxy-3-oxo-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-4-carboxylate |
| CAS Registry Number |
74269-71-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O6 |
| InChI |
InChI=1S/C19H22O6/c1-23-17(21)16-15-8-7-14(20)9-19(15,12-25-18(16)22)11-24-10-13-5-3-2-4-6-13/h2-8,14-16,20H,9-12H2,1H3/t14-,15+,16-,19+/m1/s1 |
| InChIKey |
OEPRTUNUTQNLKY-OLMMMNRUSA-N |
| Molecular Weight |
346.379 g/mol |
| SMILES |
O[C@@]1(C=C[C@@]2([C@@](C1)(COCc1ccccc1)COC([C@]2(C(=O)OC)[H])=O)[H])[H] |
| SPLASH |
splash10-014i-0090000000-895966a85a7208eb82db |
| Source of Spectrum |
F-35-2394-0 |
| Wiley ID |
1339226 |
![1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-3-oxo-8a-[(phenylmethoxy)methyl]-, methyl ester, (4.alpha.,4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-](/api/spectrum/A6dqynlW1Hy/structure.png?h=300&w=458 "1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,7,8,8a-hexahydro-7-hydroxy-3-oxo-8a-[(phenylmethoxy)methyl]-, methyl ester, (4.alpha.,4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-")
