| SpectraBase Spectrum ID |
A9RsSPdp6l8 |
| Name |
1H-2-Benzopyran-6-acetic acid, octahydro-5,7-dihydroxy-3-methoxy-8a-[(phenylmethoxy)methyl]-, methyl ester, (3.alpha.,4a.alpha.,5.alpha.,6.beta.,7.alpha.,8a.alpha.)-(.+-.)- |
| CAS Registry Number |
74269-88-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O7 |
| InChI |
InChI=1S/C21H30O7/c1-25-18(23)8-15-17(22)10-21(12-27-11-14-6-4-3-5-7-14)13-28-19(26-2)9-16(21)20(15)24/h3-7,15-17,19-20,22,24H,8-13H2,1-2H3/t15-,16-,17+,19-,20+,21+/m1/s1 |
| InChIKey |
CTDBPYBOZKFJGJ-AGMFQBESSA-N |
| Molecular Weight |
394.464 g/mol |
| SMILES |
O[C@]1([C@@]([C@](C[C@]2([C@@]1(C[C@@](OC2)(OC)[H])[H])COCc1ccccc1)(O)[H])(CC(=O)OC)[H])[H] |
| SPLASH |
splash10-0006-9000000000-10154e99c674c65937f6 |
| Source of Spectrum |
F-35-2395-0 |
| Synonyms |
8a.alpha.-benzyloxymethyl-5.alpha.,7.alpha.-dihydroxy-3.beta.-methoxy-6.beta.-methoxycarbonylmethyl-4a.alpha.-perhydroisochromane
Methyl {(3R,4aS,5R,6R,7S,8aS)-8a-[(benzyloxy)methyl]-5,7-dihydroxy-3-methoxyoctahydro-1H-2-benzopyran-6-yl}acetate |
| Wiley ID |
1366609 |
![1H-2-Benzopyran-6-acetic acid, octahydro-5,7-dihydroxy-3-methoxy-8a-[(phenylmethoxy)methyl]-, methyl ester, (3.alpha.,4a.alpha.,5.alpha.,6.beta.,7.alpha.,8a.alpha.)-(.+-.)-](/api/spectrum/A9RsSPdp6l8/structure.png?h=300&w=458 "1H-2-Benzopyran-6-acetic acid, octahydro-5,7-dihydroxy-3-methoxy-8a-[(phenylmethoxy)methyl]-, methyl ester, (3.alpha.,4a.alpha.,5.alpha.,6.beta.,7.alpha.,8a.alpha.)-(.+-.)-")
